2-[(4-chlorophenyl)methyl]-2-(3-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)butanenitrile

Systemtic Name: 2-[(4-chlorophenyl)methyl]-2-(3-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)butanenitrile Openeye Name: 2-[(4-chlorophenyl)methyl]-2-(3-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)butanenitrile CAS Name: 2-[(4-chlorophenyl)methyl]-2-(3-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)butanenitrile IUPAC Name: 2-[(4-chlorophenyl)methyl]-2-(3-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)butanenitrile Traditional Name: 2-(4-chlorobenzyl)-2-(3-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)butyronitrile Formula: C25H21ClN4O MolecularWeight: 428.91344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CCN3C=NC=N3)(CC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CCN3C=NC=N3)(CC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C25H21ClN4O/c26-22-11-9-20(10-12-22)16-25(17-27,13-14-30-19-28-18-29-30)21-5-4-8-24(15-21)31-23-6-2-1-3-7-23/h1-12,15,18-19H,13-14,16H2