3-[(4-cyclohexylpiperazin-1-yl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one

Systemtic Name: 3-[(4-cyclohexylpiperazin-1-yl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[(4-cyclohexylpiperazin-1-yl)-(1-phenethyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[(4-cyclohexyl-1-piperazinyl)-(1-phenethyl-5-tetrazolyl)methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[(4-cyclohexylpiperazin-1-yl)-(1-phenethyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 3-[(4-cyclohexylpiperazino)-(1-phenethyltetrazol-5-yl)methyl]-6-ethyl-carbostyril Formula: C31H39N7O MolecularWeight: 525.68766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6CCCCC6

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6CCCCC6

InChI

InChI=1S/C31H39N7O/c1-2-23-13-14-28-25(21-23)22-27(31(39)32-28)29(37-19-17-36(18-20-37)26-11-7-4-8-12-26)30-33-34-35-38(30)16-15-24-9-5-3-6-10-24/h3,5-6,9-10,13-14,21-22,26,29H,2,4,7-8,11-12,15-20H2,1H3,(H,32,39)