3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one

Systemtic Name: 3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one Openeye Name: 3-[(1-cyclohexyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one CAS Name: 3-[(1-cyclohexyl-5-tetrazolyl)-(4-phenyl-1-piperazinyl)methyl]-5,7-dimethyl-1H-quinolin-2-one IUPAC Name: 3-[(1-cyclohexyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-5,7-dimethyl-1H-quinolin-2-one Traditional Name: 3-[(1-cyclohexyltetrazol-5-yl)-(4-phenylpiperazino)methyl]-5,7-dimethyl-carbostyril Formula: C29H35N7O MolecularWeight: 497.6345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)C(C3=NN=NN3C4CCCCC4)N5CCN(CC5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)C(C3=NN=NN3C4CCCCC4)N5CCN(CC5)C6=CC=CC=C6)C

InChI

InChI=1S/C29H35N7O/c1-20-17-21(2)24-19-25(29(37)30-26(24)18-20)27(28-31-32-33-36(28)23-11-7-4-8-12-23)35-15-13-34(14-16-35)22-9-5-3-6-10-22/h3,5-6,9-10,17-19,23,27H,4,7-8,11-16H2,1-2H3,(H,30,37)