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

Systemtic Name: [4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[cyclopropyl-(4-nitrobenzyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C27H33N5O4 MolecularWeight: 491.58202

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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-])C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

InChI

InChI=1S/C27H33N5O4/c1-19-2-6-21(7-3-19)26(33)31-18-24(16-25(31)27(34)29-14-12-28-13-15-29)30(22-10-11-22)17-20-4-8-23(9-5-20)32(35)36/h2-9,22,24-25,28H,10-18H2,1H3