6-chloranyl-2-phenyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 6-chloranyl-2-phenyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-2-phenyl-1H-quinolin-4-one CAS Name: 6-chloro-2-phenyl-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-2-phenyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazino)methyl]-6-chloro-2-phenyl-4-quinolone Formula: C27H26ClN3O MolecularWeight: 443.96784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=C(NC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=C(NC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H26ClN3O/c28-22-11-12-25-23(17-22)27(32)24(26(29-25)21-9-5-2-6-10-21)19-31-15-13-30(14-16-31)18-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2,(H,29,32)