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

Systemtic Name: N-[3-azanyl-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[4-(1-azepanyl)-3-nitrophenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitrophenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-keto-propyl]benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c23-21(27)15-18(24-22(28)16-8-4-3-5-9-16)17-10-11-19(20(14-17)26(29)30)25-12-6-1-2-7-13-25/h3-5,8-11,14,18H,1-2,6-7,12-13,15H2,(H2,23,27)(H,24,28)