[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloranyl-2-phenyl-quinolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloranyl-2-phenyl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloro-2-phenyl-4-quinolyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(6-chloro-2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloro-2-phenylquinolin-4-yl)methanone Traditional Name: (6-chloro-2-phenyl-4-quinolyl)-(4-piperonylpiperazino)methanone Formula: C28H24ClN3O3 MolecularWeight: 485.96146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=C4C=C(C=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=C4C=C(C=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C28H24ClN3O3/c29-21-7-8-24-22(15-21)23(16-25(30-24)20-4-2-1-3-5-20)28(33)32-12-10-31(11-13-32)17-19-6-9-26-27(14-19)35-18-34-26/h1-9,14-16H,10-13,17-18H2