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

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-[(1-benzyl-4-piperidyl)amino]-3-nitro-phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]phenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-1-[4-[(1-benzyl-4-piperidyl)amino]-3-nitro-phenyl]-3-keto-propyl]-3-bromo-benzamide Formula: C28H30BrN5O4 MolecularWeight: 580.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C28H30BrN5O4/c29-22-8-4-7-21(15-22)28(36)32-25(17-27(30)35)20-9-10-24(26(16-20)34(37)38)31-23-11-13-33(14-12-23)18-19-5-2-1-3-6-19/h1-10,15-16,23,25,31H,11-14,17-18H2,(H2,30,35)(H,32,36)