3-(1,3-benzodioxol-5-yl)-4-(4-ethanoylpiperazin-1-yl)carbonyl-2-propyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(4-ethanoylpiperazin-1-yl)carbonyl-2-propyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-acetylpiperazine-1-carbonyl)-3-(1,3-benzodioxol-5-yl)-2-propyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-acetyl-1-piperazinyl)-oxomethyl]-3-(1,3-benzodioxol-5-yl)-2-propyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-acetylpiperazine-1-carbonyl)-3-(1,3-benzodioxol-5-yl)-2-propyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-acetylpiperazine-1-carbonyl)-3-(1,3-benzodioxol-5-yl)-2-propyl-3,4-dihydroisocarbostyril Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C(=O)C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C(=O)C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O5/c1-3-10-29-24(18-8-9-21-22(15-18)34-16-33-21)23(19-6-4-5-7-20(19)25(29)31)26(32)28-13-11-27(12-14-28)17(2)30/h4-9,15,23-24H,3,10-14,16H2,1-2H3