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

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-amino-1-[4-(4-benzylpiperidino)-3-nitro-phenyl]-3-keto-propyl]-4-bromo-benzamide Formula: C28H29BrN4O4 MolecularWeight: 565.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C28H29BrN4O4/c29-23-9-6-21(7-10-23)28(35)31-24(18-27(30)34)22-8-11-25(26(17-22)33(36)37)32-14-12-20(13-15-32)16-19-4-2-1-3-5-19/h1-11,17,20,24H,12-16,18H2,(H2,30,34)(H,31,35)