[1-(3-methoxyphenyl)carbonyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [1-(3-methoxyphenyl)carbonyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [1-[(3-methoxyphenyl)-oxomethyl]-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [1-(3-methoxybenzoyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[isobutyl-(4-nitrobenzyl)amino]-1-m-anisoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C28H37N5O5 MolecularWeight: 523.62388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CC(=CC=C3)OC)C(=O)N4CCNCC4

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CC(=CC=C3)OC)C(=O)N4CCNCC4

InChI

InChI=1S/C28H37N5O5/c1-20(2)17-31(18-21-7-9-23(10-8-21)33(36)37)24-16-26(28(35)30-13-11-29-12-14-30)32(19-24)27(34)22-5-4-6-25(15-22)38-3/h4-10,15,20,24,26,29H,11-14,16-19H2,1-3H3