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

Systemtic Name: N-[benzotriazol-1-yl-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]methyl]pyridin-2-amine Openeye Name: N-[benzotriazol-1-yl-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]methyl]pyridin-2-amine CAS Name: N-[1-benzotriazolyl-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]methyl]-2-pyridinamine IUPAC Name: N-[benzotriazol-1-yl-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]methyl]pyridin-2-amine Traditional Name: [benzotriazol-1-yl-[3-nitro-4-(4-phenylpiperazino)phenyl]methyl]-(2-pyridyl)amine Formula: C28H26N8O2 MolecularWeight: 506.55844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=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(CCN1C2=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/C28H26N8O2/c37-36(38)26-20-21(13-14-25(26)34-18-16-33(17-19-34)22-8-2-1-3-9-22)28(30-27-12-6-7-15-29-27)35-24-11-5-4-10-23(24)31-32-35/h1-15,20,28H,16-19H2,(H,29,30)