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

Systemtic Name: [4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[isobutyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C26H34N6O4 MolecularWeight: 494.58596

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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=CN=CC=C3)C(=O)N4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H34N6O4/c1-19(2)16-30(17-20-5-7-22(8-6-20)32(35)36)23-14-24(26(34)29-12-10-27-11-13-29)31(18-23)25(33)21-4-3-9-28-15-21/h3-9,15,19,23-24,27H,10-14,16-18H2,1-2H3