3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-1H-quinolin-2-one

Systemtic Name: 3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-1H-quinolin-2-one Openeye Name: 3-[(1-cyclohexyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-1H-quinolin-2-one CAS Name: 3-[(1-cyclohexyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-1H-quinolin-2-one IUPAC Name: 3-[(1-cyclohexyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-1H-quinolin-2-one Traditional Name: 3-[(1-cyclohexyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methoxy-carbostyril Formula: C27H30N6O2 MolecularWeight: 470.5661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCCC4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCCC4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C27H30N6O2/c1-35-22-11-12-24-20(15-22)16-23(27(34)28-24)25(32-14-13-18-7-5-6-8-19(18)17-32)26-29-30-31-33(26)21-9-3-2-4-10-21/h5-8,11-12,15-16,21,25H,2-4,9-10,13-14,17H2,1H3,(H,28,34)