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

Systemtic Name: 1,4-diazepan-1-yl-[1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[1-[(4-methylphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(4-nitrobenzyl)-phenethyl-amino]-1-p-toluoyl-pyrrolidin-2-yl]methanone Formula: C33H39N5O4 MolecularWeight: 569.69386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H39N5O4/c1-25-8-12-28(13-9-25)32(39)37-24-30(22-31(37)33(40)35-19-5-17-34-18-21-35)36(20-16-26-6-3-2-4-7-26)23-27-10-14-29(15-11-27)38(41)42/h2-4,6-15,30-31,34H,5,16-24H2,1H3