3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one

Systemtic Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one CAS Name: 3-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one Traditional Name: 3-[4-(4-piperonylpiperazine-1-carbonyl)anilino]-2-propyl-isoindolin-1-one Formula: C30H32N4O4 MolecularWeight: 512.59948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H32N4O4/c1-2-13-34-28(24-5-3-4-6-25(24)30(34)36)31-23-10-8-22(9-11-23)29(35)33-16-14-32(15-17-33)19-21-7-12-26-27(18-21)38-20-37-26/h3-12,18,28,31H,2,13-17,19-20H2,1H3