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

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisocarbostyril Formula: C28H37N3O5 MolecularWeight: 495.61048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O5/c1-6-12-31-25(19-17-22(34-3)26(36-5)23(18-19)35-4)24(20-10-7-8-11-21(20)27(31)32)28(33)30-14-9-13-29(2)15-16-30/h7-8,10-11,17-18,24-25H,6,9,12-16H2,1-5H3