N-[3-azanyl-1-[4-(cycloheptylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(cycloheptylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(cycloheptylamino)-3-nitro-phenyl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-amino-1-[4-(cycloheptylamino)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(cycloheptylamino)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-amino-1-[4-(cycloheptylamino)-3-nitro-phenyl]-3-keto-propyl]-4-bromo-benzamide Formula: C23H27BrN4O4 MolecularWeight: 503.38888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H27BrN4O4/c24-17-10-7-15(8-11-17)23(30)27-20(14-22(25)29)16-9-12-19(21(13-16)28(31)32)26-18-5-3-1-2-4-6-18/h7-13,18,20,26H,1-6,14H2,(H2,25,29)(H,27,30)