5-azanyl-1-[3-(4-phenylmethoxyphenyl)propyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[3-(4-phenylmethoxyphenyl)propyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[3-(4-benzyloxyphenyl)propyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[3-(4-phenylmethoxyphenyl)propyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[3-(4-phenylmethoxyphenyl)propyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[3-(4-benzoxyphenyl)propyl]pyrazole-4-carbonitrile Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCN3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCN3C(=C(C=N3)C#N)N

InChI

InChI=1S/C20H20N4O/c21-13-18-14-23-24(20(18)22)12-4-7-16-8-10-19(11-9-16)25-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,14H,4,7,12,15,22H2