3-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one

Systemtic Name: 3-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: 3-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one CAS Name: 3-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: 3-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one Traditional Name: 3-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one Formula: C29H32N4O3 MolecularWeight: 484.58938

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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)C5=CC=CC=C5OC

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H32N4O3/c1-3-16-33-27(23-8-4-5-9-24(23)29(33)35)30-22-14-12-21(13-15-22)28(34)32-19-17-31(18-20-32)25-10-6-7-11-26(25)36-2/h4-15,27,30H,3,16-20H2,1-2H3