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

Systemtic Name: 3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-(phenylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one Openeye Name: 3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one CAS Name: 3-[[(1-cyclohexyl-5-tetrazolyl)methyl-(phenylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one IUPAC Name: 3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one Traditional Name: 3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-6-ethoxy-carbostyril Formula: C27H32N6O2 MolecularWeight: 472.58198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)CC4=NN=NN4C5CCCCC5

InChI

InChI=1S/C27H32N6O2/c1-2-35-24-13-14-25-21(16-24)15-22(27(34)28-25)18-32(17-20-9-5-3-6-10-20)19-26-29-30-31-33(26)23-11-7-4-8-12-23/h3,5-6,9-10,13-16,23H,2,4,7-8,11-12,17-19H2,1H3,(H,28,34)