N-[benzotriazol-1-yl-[5-nitro-2-(4-phenylpiperidin-1-yl)phenyl]methyl]pyridin-2-amine

Systemtic Name: N-[benzotriazol-1-yl-[5-nitro-2-(4-phenylpiperidin-1-yl)phenyl]methyl]pyridin-2-amine Openeye Name: N-[benzotriazol-1-yl-[5-nitro-2-(4-phenyl-1-piperidyl)phenyl]methyl]pyridin-2-amine CAS Name: N-[1-benzotriazolyl-[5-nitro-2-(4-phenyl-1-piperidinyl)phenyl]methyl]-2-pyridinamine IUPAC Name: N-[benzotriazol-1-yl-[5-nitro-2-(4-phenylpiperidin-1-yl)phenyl]methyl]pyridin-2-amine Traditional Name: [benzotriazol-1-yl-[5-nitro-2-(4-phenylpiperidino)phenyl]methyl]-(2-pyridyl)amine Formula: C29H27N7O2 MolecularWeight: 505.57038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(NC4=CC=CC=N4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(NC4=CC=CC=N4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H27N7O2/c37-36(38)23-13-14-26(34-18-15-22(16-19-34)21-8-2-1-3-9-21)24(20-23)29(31-28-12-6-7-17-30-28)35-27-11-5-4-10-25(27)32-33-35/h1-14,17,20,22,29H,15-16,18-19H2,(H,30,31)