[2-(1,3-benzodioxol-5-yl)-7-chloranyl-8-methyl-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-7-chloranyl-8-methyl-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-4-quinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-4-quinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-4-quinolyl]-(4-phenylpiperazino)methanone Formula: C28H24ClN3O3 MolecularWeight: 485.96146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)Cl

InChI

InChI=1S/C28H24ClN3O3/c1-18-23(29)9-8-21-22(28(33)32-13-11-31(12-14-32)20-5-3-2-4-6-20)16-24(30-27(18)21)19-7-10-25-26(15-19)35-17-34-25/h2-10,15-16H,11-14,17H2,1H3