2-[4-[5-cyclohexyl-8-methyl-2-oxidanylidene-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]guanidine

Systemtic Name: 2-[4-[5-cyclohexyl-8-methyl-2-oxidanylidene-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]guanidine Openeye Name: 2-[4-(3-benzyl-5-cyclohexyl-8-methyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]guanidine CAS Name: 2-[4-[5-cyclohexyl-8-methyl-2-oxo-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]guanidine IUPAC Name: 2-[4-(3-benzyl-5-cyclohexyl-8-methyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]guanidine Traditional Name: 2-[4-(3-benzyl-5-cyclohexyl-2-keto-8-methyl-1,3,4-benzotriazepin-1-yl)phenyl]guanidine Formula: C29H32N6O MolecularWeight: 480.60398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)N=C(N)N)CC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)N=C(N)N)CC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C29H32N6O/c1-20-12-17-25-26(18-20)35(24-15-13-23(14-16-24)32-28(30)31)29(36)34(19-21-8-4-2-5-9-21)33-27(25)22-10-6-3-7-11-22/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19H2,1H3,(H4,30,31,32)