N-[3-azanyl-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[4-(1-azepanyl)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-keto-propyl]-3,5-dimethyl-benzamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C24H30N4O4/c1-16-11-17(2)13-19(12-16)24(30)26-20(15-23(25)29)18-7-8-21(22(14-18)28(31)32)27-9-5-3-4-6-10-27/h7-8,11-14,20H,3-6,9-10,15H2,1-2H3,(H2,25,29)(H,26,30)