N-[benzotriazol-1-yl-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]methyl]pyridin-2-amine

Systemtic Name: N-[benzotriazol-1-yl-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]methyl]pyridin-2-amine Openeye Name: N-[benzotriazol-1-yl-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]methyl]pyridin-2-amine CAS Name: N-[1-benzotriazolyl-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]methyl]-2-pyridinamine IUPAC Name: N-[benzotriazol-1-yl-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methyl]pyridin-2-amine Traditional Name: [benzotriazol-1-yl-[4-(4-benzylpiperazino)-3-nitro-phenyl]methyl]-(2-pyridyl)amine Formula: C29H28N8O2 MolecularWeight: 520.58502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(NC4=CC=CC=N4)N5C6=CC=CC=C6N=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(NC4=CC=CC=N4)N5C6=CC=CC=C6N=N5)[N+](=O)[O-]

InChI

InChI=1S/C29H28N8O2/c38-37(39)27-20-23(13-14-26(27)35-18-16-34(17-19-35)21-22-8-2-1-3-9-22)29(31-28-12-6-7-15-30-28)36-25-11-5-4-10-24(25)32-33-36/h1-15,20,29H,16-19,21H2,(H,30,31)