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

Systemtic Name: 3-[azepan-1-yl-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one Openeye Name: 3-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one CAS Name: 3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-6-methyl-1H-quinolin-2-one IUPAC Name: 3-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one Traditional Name: 3-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]-6-methyl-carbostyril Formula: C25H28N6O MolecularWeight: 428.52942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CC4=CC=CC=C4)N5CCCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CC4=CC=CC=C4)N5CCCCCC5

InChI

InChI=1S/C25H28N6O/c1-18-11-12-22-20(15-18)16-21(25(32)26-22)23(30-13-7-2-3-8-14-30)24-27-28-29-31(24)17-19-9-5-4-6-10-19/h4-6,9-12,15-16,23H,2-3,7-8,13-14,17H2,1H3,(H,26,32)