N-(4-azanylcyclohexyl)-3-nitro-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-nitro-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O4/c27-21-8-10-22(11-9-21)28-26(33)20-7-12-23(24(18-20)31(34)35)29-13-4-14-30(16-15-29)25(32)17-19-5-2-1-3-6-19/h1-3,5-7,12,18,21-22H,4,8-11,13-17,27H2,(H,28,33)