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

Systemtic Name: 3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-ethyl-carbostyril Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCC4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCC4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C27H30N6O/c1-2-18-11-12-24-21(15-18)16-23(27(34)28-24)25(26-29-30-31-33(26)22-9-5-6-10-22)32-14-13-19-7-3-4-8-20(19)17-32/h3-4,7-8,11-12,15-16,22,25H,2,5-6,9-10,13-14,17H2,1H3,(H,28,34)