N-(4-nitro-2-phenyl-phenyl)-7-phenyl-2-(phenylmethyl)-1,2,5-triazepin-4-amine

Systemtic Name: N-(4-nitro-2-phenyl-phenyl)-7-phenyl-2-(phenylmethyl)-1,2,5-triazepin-4-amine Openeye Name: 2-benzyl-N-(4-nitro-2-phenyl-phenyl)-7-phenyl-1,2,5-triazepin-4-amine CAS Name: N-(4-nitro-2-phenylphenyl)-7-phenyl-2-(phenylmethyl)-1,2,5-triazepin-4-amine IUPAC Name: 2-benzyl-N-(4-nitro-2-phenylphenyl)-7-phenyl-1,2,5-triazepin-4-amine Traditional Name: (2-benzyl-7-phenyl-1,2,5-triazepin-4-yl)-(4-nitro-2-phenyl-phenyl)amine Formula: C29H23N5O2 MolecularWeight: 473.52522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=CC(=N2)C3=CC=CC=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=CC(=N2)C3=CC=CC=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H23N5O2/c35-34(36)25-16-17-27(26(18-25)23-12-6-2-7-13-23)31-29-21-33(20-22-10-4-1-5-11-22)32-28(19-30-29)24-14-8-3-9-15-24/h1-19,21,31H,20H2