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

Systemtic Name: 1,4-diazepan-1-yl-[4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[isobutyl-(4-nitrobenzyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C27H36N6O4 MolecularWeight: 508.61254

Click to see the large picture

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)N4CCCNCC4

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCCNCC4

InChI

InChI=1S/C27H36N6O4/c1-20(2)17-31(18-21-6-8-23(9-7-21)33(36)37)24-15-25(27(35)30-13-4-11-28-12-14-30)32(19-24)26(34)22-5-3-10-29-16-22/h3,5-10,16,20,24-25,28H,4,11-15,17-19H2,1-2H3