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

Systemtic Name: 2-[3-[5-cyclohexyl-2-oxidanylidene-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]guanidine Openeye Name: 2-[3-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]guanidine CAS Name: 2-[3-[5-cyclohexyl-2-oxo-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]guanidine IUPAC Name: 2-[3-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]guanidine Traditional Name: 2-[3-(3-benzyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-1-yl)phenyl]guanidine Formula: C28H30N6O MolecularWeight: 466.5774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=CC(=C4)N=C(N)N)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=CC(=C4)N=C(N)N)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O/c29-27(30)31-22-14-9-15-23(18-22)34-25-17-8-7-16-24(25)26(21-12-5-2-6-13-21)32-33(28(34)35)19-20-10-3-1-4-11-20/h1,3-4,7-11,14-18,21H,2,5-6,12-13,19H2,(H4,29,30,31)