4-[3-(cyanomethylcarbamoyl)phenyl]-3-(3-methylbutyl)benzamide

Systemtic Name: 4-[3-(cyanomethylcarbamoyl)phenyl]-3-(3-methylbutyl)benzamide Openeye Name: 4-[3-(cyanomethylcarbamoyl)phenyl]-3-isopentyl-benzamide CAS Name: 4-[3-[(cyanomethylamino)-oxomethyl]phenyl]-3-(3-methylbutyl)benzamide IUPAC Name: 4-[3-(cyanomethylcarbamoyl)phenyl]-3-(3-methylbutyl)benzamide Traditional Name: 4-[3-(cyanomethylcarbamoyl)phenyl]-3-isoamyl-benzamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=CC(=C1)C(=O)N)C2=CC(=CC=C2)C(=O)NCC#N

Isomeric SMILES

CC(C)CCC1=C(C=CC(=C1)C(=O)N)C2=CC(=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C21H23N3O2/c1-14(2)6-7-16-12-17(20(23)25)8-9-19(16)15-4-3-5-18(13-15)21(26)24-11-10-22/h3-5,8-9,12-14H,6-7,11H2,1-2H3,(H2,23,25)(H,24,26)