5-(4-chlorophenyl)-N-(phenylmethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine hydrate

Systemtic Name: 5-(4-chlorophenyl)-N-(phenylmethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine hydrate Openeye Name: N-benzyl-5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-amine hydrate CAS Name: 5-(4-chlorophenyl)-N-(phenylmethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine hydrate IUPAC Name: N-benzyl-5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine hydrate Traditional Name: benzyl-[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]amine hydrate Formula: C21H19ClN4O MolecularWeight: 378.85476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl.O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl.O

InChI

InChI=1S/C21H17ClN4.H2O/c22-18-8-6-17(7-9-18)20-19(16-10-12-23-13-11-16)21(26-25-20)24-14-15-4-2-1-3-5-15;/h1-13H,14H2,(H2,24,25,26);1H2