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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC4=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)CC4=CC=C(C=C4)N=C(N)N)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N6O/c30-28(31)32-24-17-15-22(16-18-24)19-34-26-14-8-7-13-25(26)27(23-11-5-2-6-12-23)33-35(29(34)36)20-21-9-3-1-4-10-21/h1,3-4,7-10,13-18,23H,2,5-6,11-12,19-20H2,(H4,30,31,32)