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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[m-anisyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C30H35N5O5S MolecularWeight: 577.6944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C30H35N5O5S/c1-40-26-6-2-5-23(17-26)20-33(19-22-8-10-24(11-9-22)35(38)39)25-18-27(29(36)32-14-4-12-31-13-15-32)34(21-25)30(37)28-7-3-16-41-28/h2-3,5-11,16-17,25,27,31H,4,12-15,18-21H2,1H3