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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[1-nicotinoyl-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidin-2-yl]methanone Formula: C28H32N6O4S MolecularWeight: 548.65648

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C28H32N6O4S/c35-27(22-4-1-10-30-17-22)33-19-24(16-26(33)28(36)31-13-3-11-29-12-14-31)32(20-25-5-2-15-39-25)18-21-6-8-23(9-7-21)34(37)38/h1-2,4-10,15,17,24,26,29H,3,11-14,16,18-20H2