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

Systemtic Name: 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-(3-methoxypropyl)-3H-isoindol-1-one Openeye Name: 3-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-(3-methoxypropyl)isoindolin-1-one CAS Name: 3-[3-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one IUPAC Name: 3-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one Traditional Name: 3-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-(3-methoxypropyl)isoindolin-1-one Formula: C30H34N4O4 MolecularWeight: 514.61536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C30H34N4O4/c1-37-20-8-15-34-28(24-11-3-4-12-25(24)30(34)36)31-23-10-7-9-22(21-23)29(35)33-18-16-32(17-19-33)26-13-5-6-14-27(26)38-2/h3-7,9-14,21,28,31H,8,15-20H2,1-2H3