1,4-diazepan-1-yl-[3-nitro-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[3-nitro-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]phenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]methanone Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4S/c28-21(25-9-2-7-23-8-12-25)17-5-6-18(19(16-17)27(30)31)24-10-3-11-26(14-13-24)22(29)20-4-1-15-32-20/h1,4-6,15-16,23H,2-3,7-14H2