3-[3-(1-benzofuran-2-yl)-4-[(phenylmethyl)iminomethyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-4-[(phenylmethyl)iminomethyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(benzofuran-2-yl)-4-(benzyliminomethyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(2-benzofuranyl)-4-[(phenylmethyl)iminomethyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(1-benzofuran-2-yl)-4-(benzyliminomethyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(benzofuran-2-yl)-4-(benzyliminomethyl)pyrazol-1-yl]propionitrile Formula: C22H18N4O MolecularWeight: 354.40452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N

InChI

InChI=1S/C22H18N4O/c23-11-6-12-26-16-19(15-24-14-17-7-2-1-3-8-17)22(25-26)21-13-18-9-4-5-10-20(18)27-21/h1-5,7-10,13,15-16H,6,12,14H2