5-azanyl-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[(4-benzyloxyphenyl)methyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[(4-phenylmethoxyphenyl)methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(4-benzoxybenzyl)pyrazole-4-carbonitrile Formula: C18H16N4O MolecularWeight: 304.34584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CN3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CN3C(=C(C=N3)C#N)N

InChI

InChI=1S/C18H16N4O/c19-10-16-11-21-22(18(16)20)12-14-6-8-17(9-7-14)23-13-15-4-2-1-3-5-15/h1-9,11H,12-13,20H2