2-cyclopropyl-3-(3-methoxyphenyl)-4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-cyclopropyl-3-(3-methoxyphenyl)-4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-cyclopropyl-3-(3-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclopropyl-3-(3-methoxyphenyl)-4-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-cyclopropyl-3-(3-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-cyclopropyl-3-(3-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C26H31N3O3/c1-27-13-6-14-28(16-15-27)26(31)23-21-9-3-4-10-22(21)25(30)29(19-11-12-19)24(23)18-7-5-8-20(17-18)32-2/h3-5,7-10,17,19,23-24H,6,11-16H2,1-2H3