1-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C24H29ClN8O2 MolecularWeight: 496.99246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C24H29ClN8O2/c1-31-21(14-20(30-31)17-7-9-18(25)10-8-17)29-24(27-16-26)28-19-6-2-3-13-33(23(19)35)15-22(34)32-11-4-5-12-32/h7-10,14,19H,2-6,11-13,15H2,1H3,(H2,27,28,29)