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

Systemtic Name: [1-(4-methylphenyl)carbonyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [1-[(4-methylphenyl)-oxomethyl]-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [1-(4-methylbenzoyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[isobutyl-(4-nitrobenzyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C28H37N5O4 MolecularWeight: 507.62448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC(C)C

InChI

InChI=1S/C28H37N5O4/c1-20(2)17-31(18-22-6-10-24(11-7-22)33(36)37)25-16-26(28(35)30-14-12-29-13-15-30)32(19-25)27(34)23-8-4-21(3)5-9-23/h4-11,20,25-26,29H,12-19H2,1-3H3