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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]carbonyl-2-propyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[[4-(2-methoxyethyl)-1-piperazinyl]-oxomethyl]-2-propyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propyl-3,4-dihydroisocarbostyril Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5/c1-3-10-30-25(19-8-9-22-23(17-19)35-18-34-22)24(20-6-4-5-7-21(20)26(30)31)27(32)29-13-11-28(12-14-29)15-16-33-2/h4-9,17,24-25H,3,10-16,18H2,1-2H3