[1-(4-methylphenyl)carbonyl-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [1-(4-methylphenyl)carbonyl-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[benzyl(isobutyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [1-[(4-methylphenyl)-oxomethyl]-4-[2-methylpropyl-(phenylmethyl)amino]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[benzyl(2-methylpropyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[benzyl(isobutyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=CC=C4)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=CC=C4)CC(C)C

InChI

InChI=1S/C28H38N4O2/c1-21(2)18-31(19-23-7-5-4-6-8-23)25-17-26(28(34)30-15-13-29-14-16-30)32(20-25)27(33)24-11-9-22(3)10-12-24/h4-12,21,25-26,29H,13-20H2,1-3H3