PDB CCD ID: | PJ4 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C14 H18 Cl N3 |
InChI: | InChI=1S/C14H18ClN3/c1-17-6-8-18(9-7-17)14-12-5-3-2-4-11(12)10-13(15)16-14/h2-5,14H,6-10H2,1H3 |
InChIKey: | CNZUDFLBFGHIKZ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl | ACDLabs 12.01 | c12C(N=C(Cl)Cc1cccc2)N3CCN(CC3)C | CACTVS 3.385 | CN1CCN(CC1)[CH]2N=C(Cl)Cc3ccccc23 | CACTVS 3.385 | CN1CCN(CC1)[C@H]2N=C(Cl)Cc3ccccc23 |
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Name: | (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline |