5-azanyl-3-[(4-methoxyphenyl)amino]-1-(phenylmethyl)pyrazole-4-carbonitrile; (phenylmethyl)diazane; dihydrochloride

Systemtic Name: 5-azanyl-3-[(4-methoxyphenyl)amino]-1-(phenylmethyl)pyrazole-4-carbonitrile; (phenylmethyl)diazane; dihydrochloride Openeye Name: 5-amino-1-benzyl-3-(4-methoxyanilino)pyrazole-4-carbonitrile; benzylhydrazine; dihydrochloride CAS Name: 5-amino-3-(4-methoxyanilino)-1-(phenylmethyl)-4-pyrazolecarbonitrile; (phenylmethyl)hydrazine; dihydrochloride IUPAC Name: 5-amino-1-benzyl-3-(4-methoxyanilino)pyrazole-4-carbonitrile; benzylhydrazine; dihydrochloride Traditional Name: 5-amino-1-benzyl-3-(p-anisidino)pyrazole-4-carbonitrile; benzylhydrazine; dihydrochloride Formula: C25H29Cl2N7O MolecularWeight: 514.45006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN(C(=C2C#N)N)CC3=CC=CC=C3.C1=CC=C(C=C1)CNN.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN(C(=C2C#N)N)CC3=CC=CC=C3.C1=CC=C(C=C1)CNN.Cl.Cl

InChI

InChI=1S/C18H17N5O.C7H10N2.2ClH/c1-24-15-9-7-14(8-10-15)21-18-16(11-19)17(20)23(22-18)12-13-5-3-2-4-6-13;8-9-6-7-4-2-1-3-5-7;;/h2-10H,12,20H2,1H3,(H,21,22);1-5,9H,6,8H2;2*1H