5-azanyl-3-[(3-chlorophenyl)amino]-1-(phenylmethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(3-chlorophenyl)amino]-1-(phenylmethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-benzyl-3-(3-chloroanilino)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(3-chloroanilino)-1-(phenylmethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-benzyl-3-(3-chloroanilino)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-benzyl-3-(3-chloroanilino)pyrazole-4-carbonitrile Formula: C17H14ClN5 MolecularWeight: 323.77956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=N2)NC3=CC(=CC=C3)Cl)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)NC3=CC(=CC=C3)Cl)C#N)N

InChI

InChI=1S/C17H14ClN5/c18-13-7-4-8-14(9-13)21-17-15(10-19)16(20)23(22-17)11-12-5-2-1-3-6-12/h1-9H,11,20H2,(H,21,22)