N-[4-(cyanomethyl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C20H22N4O2/c1-14(2)23-20(26)22-13-16-3-7-17(8-4-16)19(25)24-18-9-5-15(6-10-18)11-12-21/h3-10,14H,11,13H2,1-2H3,(H,24,25)(H2,22,23,26)