2-(4-chlorophenyl)-4-morpholin-4-yl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-(4-chlorophenyl)-4-morpholin-4-yl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-(4-chlorophenyl)-4-morpholino-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-(4-chlorophenyl)-4-(4-morpholinyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-(4-chlorophenyl)-4-morpholin-4-yl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-(4-chlorophenyl)-4-morpholino-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C17H20ClN5O MolecularWeight: 345.8266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(CN2C=NC=N2)(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1CCC(CN2C=NC=N2)(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5O/c18-16-3-1-15(2-4-16)17(11-19,12-23-14-20-13-21-23)5-6-22-7-9-24-10-8-22/h1-4,13-14H,5-10,12H2