[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino] 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate

Systemtic Name: [methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]amino] 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate Openeye Name: [(1-benzylpyrazol-4-yl)methyl-methyl-amino] 4-(5-amino-4-cyano-pyrazol-1-yl)benzoate CAS Name: 4-(5-amino-4-cyano-1-pyrazolyl)benzoic acid [methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]amino] ester IUPAC Name: [(1-benzylpyrazol-4-yl)methyl-methylamino] 4-(5-amino-4-cyanopyrazol-1-yl)benzoate Traditional Name: 4-(5-amino-4-cyano-pyrazol-1-yl)benzoic acid [(1-benzylpyrazol-4-yl)methyl-methyl-amino] ester Formula: C23H21N7O2 MolecularWeight: 427.45854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C#N)N

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C#N)N

InChI

InChI=1S/C23H21N7O2/c1-28(14-18-12-26-29(16-18)15-17-5-3-2-4-6-17)32-23(31)19-7-9-21(10-8-19)30-22(25)20(11-24)13-27-30/h2-10,12-13,16H,14-15,25H2,1H3