N-(5-chloranyl-2-methoxy-4-nitro-phenyl)-1-methyl-4-(phenylmethyl)-1,4-diazepane-6-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-4-nitro-phenyl)-1-methyl-4-(phenylmethyl)-1,4-diazepane-6-carboxamide Openeye Name: 1-benzyl-N-(5-chloro-2-methoxy-4-nitro-phenyl)-4-methyl-1,4-diazepane-6-carboxamide CAS Name: N-(5-chloro-2-methoxy-4-nitrophenyl)-1-methyl-4-(phenylmethyl)-1,4-diazepane-6-carboxamide IUPAC Name: 1-benzyl-N-(5-chloro-2-methoxy-4-nitrophenyl)-4-methyl-1,4-diazepane-6-carboxamide Traditional Name: 1-benzyl-N-(5-chloro-2-methoxy-4-nitro-phenyl)-4-methyl-1,4-diazepane-6-carboxamide Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)C(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC(C1)C(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4O4/c1-24-8-9-25(12-15-6-4-3-5-7-15)14-16(13-24)21(27)23-18-10-17(22)19(26(28)29)11-20(18)30-2/h3-7,10-11,16H,8-9,12-14H2,1-2H3,(H,23,27)