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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O/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/h1,3-4,7-10,13-18,21H,2,5-6,11-12,19H2,(H4,29,30,31)