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

Systemtic Name: N-[3-azanyl-1-[4-(4-bromanylpiperidin-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-(4-bromo-1-piperidyl)-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[4-(4-bromo-1-piperidinyl)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-(4-bromopiperidin-1-yl)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-1-[4-(4-bromopiperidino)-3-nitro-phenyl]-3-keto-propyl]-3,5-dimethyl-benzamide Formula: C23H27BrN4O4 MolecularWeight: 503.38888

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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)N3CCC(CC3)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)Br)[N+](=O)[O-])C

InChI

InChI=1S/C23H27BrN4O4/c1-14-9-15(2)11-17(10-14)23(30)26-19(13-22(25)29)16-3-4-20(21(12-16)28(31)32)27-7-5-18(24)6-8-27/h3-4,9-12,18-19H,5-8,13H2,1-2H3,(H2,25,29)(H,26,30)