3-(1,3-benzodioxol-5-yl)-4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-2-propyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-2-propyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-2-propyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propyl-3,4-dihydroisocarbostyril Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCN(CC3)C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCN(CC3)C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N3O4/c1-3-11-29-24(18-9-10-21-22(16-18)33-17-32-21)23(19-7-4-5-8-20(19)25(29)30)26(31)28-13-6-12-27(2)14-15-28/h4-5,7-10,16,23-24H,3,6,11-15,17H2,1-2H3