2-[4-[2-oxidanylidene-5-phenyl-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]guanidine

Systemtic Name: 2-[4-[2-oxidanylidene-5-phenyl-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]guanidine Openeye Name: 2-[4-(3-benzyl-2-oxo-5-phenyl-1,3,4-benzotriazepin-1-yl)phenyl]guanidine CAS Name: 2-[4-[2-oxo-5-phenyl-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]guanidine IUPAC Name: 2-[4-(3-benzyl-2-oxo-5-phenyl-1,3,4-benzotriazepin-1-yl)phenyl]guanidine Traditional Name: 2-[4-(3-benzyl-2-keto-5-phenyl-1,3,4-benzotriazepin-1-yl)phenyl]guanidine Formula: C28H24N6O MolecularWeight: 460.52976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5=CC=C(C=C5)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5=CC=C(C=C5)N=C(N)N

InChI

InChI=1S/C28H24N6O/c29-27(30)31-22-15-17-23(18-16-22)34-25-14-8-7-13-24(25)26(21-11-5-2-6-12-21)32-33(28(34)35)19-20-9-3-1-4-10-20/h1-18H,19H2,(H4,29,30,31)