1-cyano-1-(3,3-dimethylbutan-2-yl)-2-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]guanidine

Systemtic Name: 1-cyano-1-(3,3-dimethylbutan-2-yl)-2-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]guanidine Openeye Name: 2-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-1-cyano-1-(1,2,2-trimethylpropyl)guanidine CAS Name: 1-cyano-1-(3,3-dimethylbutan-2-yl)-2-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]guanidine IUPAC Name: 2-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-1-cyano-1-(3,3-dimethylbutan-2-yl)guanidine Traditional Name: 2-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-1-cyano-1-(1,2,2-trimethylpropyl)guanidine Formula: C26H34N6O MolecularWeight: 446.58776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)N(C#N)C(=NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C(C)(C)C)N(C#N)C(=NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C26H34N6O/c1-20(26(2,3)4)32(19-27)25(28)29-23-12-10-22(11-13-23)24(33)31-16-14-30(15-17-31)18-21-8-6-5-7-9-21/h5-13,20H,14-18H2,1-4H3,(H2,28,29)