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

Systemtic Name: 2-[3-[5-cyclohexyl-2-oxidanylidene-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]propyl]guanidine Openeye Name: 2-[3-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)propyl]guanidine CAS Name: 2-[3-[5-cyclohexyl-2-oxo-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]propyl]guanidine IUPAC Name: 2-[3-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)propyl]guanidine Traditional Name: 2-[3-(3-benzyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-1-yl)propyl]guanidine Formula: C25H32N6O MolecularWeight: 432.56118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O/c26-24(27)28-16-9-17-30-22-15-8-7-14-21(22)23(20-12-5-2-6-13-20)29-31(25(30)32)18-19-10-3-1-4-11-19/h1,3-4,7-8,10-11,14-15,20H,2,5-6,9,12-13,16-18H2,(H4,26,27,28)