N-(cyanomethyl)-4-methyl-2-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(3-morpholinopropylcarbamoylamino)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[[[3-(4-morpholinyl)propylamino]-oxomethyl]amino]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(3-morpholinopropylcarbamoylamino)phenyl]valeramide Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC(=CC=C1)NC(=O)NCCCN2CCOCC2)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC(=CC=C1)NC(=O)NCCCN2CCOCC2)C(=O)NCC#N

InChI

InChI=1S/C22H33N5O3/c1-17(2)15-20(21(28)24-9-7-23)18-5-3-6-19(16-18)26-22(29)25-8-4-10-27-11-13-30-14-12-27/h3,5-6,16-17,20H,4,8-15H2,1-2H3,(H,24,28)(H2,25,26,29)