2-cyclopropyl-4-(4-ethanoylpiperazin-1-yl)carbonyl-3-(3-methoxyphenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-cyclopropyl-4-(4-ethanoylpiperazin-1-yl)carbonyl-3-(3-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-acetylpiperazine-1-carbonyl)-2-cyclopropyl-3-(3-methoxyphenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-cyclopropyl-3-(3-methoxyphenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-acetylpiperazine-1-carbonyl)-2-cyclopropyl-3-(3-methoxyphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-acetylpiperazine-1-carbonyl)-2-cyclopropyl-3-(3-methoxyphenyl)-3,4-dihydroisocarbostyril Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C26H29N3O4/c1-17(30)27-12-14-28(15-13-27)26(32)23-21-8-3-4-9-22(21)25(31)29(19-10-11-19)24(23)18-6-5-7-20(16-18)33-2/h3-9,16,19,23-24H,10-15H2,1-2H3