3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-(phenylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one

Systemtic Name: 3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-(phenylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[[(1-cyclohexyl-5-tetrazolyl)methyl-(phenylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-6-ethyl-carbostyril Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

InChI

InChI=1S/C27H32N6O/c1-2-20-13-14-25-22(15-20)16-23(27(34)28-25)18-32(17-21-9-5-3-6-10-21)19-26-29-30-31-33(26)24-11-7-4-8-12-24/h3,5-6,9-10,13-16,24H,2,4,7-8,11-12,17-19H2,1H3,(H,28,34)