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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(4-nitrophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(4-nitrobenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C30H35N5O4S MolecularWeight: 561.695

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H35N5O4S/c36-29(32-16-5-14-31-15-18-32)27-20-26(22-34(27)30(37)28-8-4-19-40-28)33(17-13-23-6-2-1-3-7-23)21-24-9-11-25(12-10-24)35(38)39/h1-4,6-12,19,26-27,31H,5,13-18,20-22H2