5,7-dimethyl-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 5,7-dimethyl-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 5,7-dimethyl-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one CAS Name: 5,7-dimethyl-2-[[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]methyl]-1H-quinolin-4-one IUPAC Name: 5,7-dimethyl-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 5,7-dimethyl-2-[[4-(2-phenylbutanoyl)piperazino]methyl]-4-quinolone Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C4=C(C=C(C=C4N3)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C4=C(C=C(C=C4N3)C)C

InChI

InChI=1S/C26H31N3O2/c1-4-22(20-8-6-5-7-9-20)26(31)29-12-10-28(11-13-29)17-21-16-24(30)25-19(3)14-18(2)15-23(25)27-21/h5-9,14-16,22H,4,10-13,17H2,1-3H3,(H,27,30)