3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-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-methyl-1H-quinolin-2-one Openeye Name: 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-2-one CAS Name: 3-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-2-one IUPAC Name: 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-2-one Traditional Name: 3-[(1-cyclopentyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-carbostyril Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCC4)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCC4)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C26H28N6O/c1-17-10-11-23-20(14-17)15-22(26(33)27-23)24(25-28-29-30-32(25)21-8-4-5-9-21)31-13-12-18-6-2-3-7-19(18)16-31/h2-3,6-7,10-11,14-15,21,24H,4-5,8-9,12-13,16H2,1H3,(H,27,33)