3-(aminocarbonylamino)-N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: 3-(aminocarbonylamino)-N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(3-morpholinopropyl)-3-ureido-benzamide CAS Name: 3-(carbamoylamino)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-(carbamoylamino)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(3-morpholinopropyl)-3-ureido-benzamide Formula: C23H34N6O4 MolecularWeight: 458.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=C(C=C1)CCCN2CCOCC2)NC(=O)N

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=C(C=C1)CCCN2CCOCC2)NC(=O)N

InChI

InChI=1S/C23H34N6O4/c1-16(2)14-20(22(31)26-8-7-24)27-21(30)18-6-5-17(19(15-18)28-23(25)32)4-3-9-29-10-12-33-13-11-29/h5-6,15-16,20H,3-4,8-14H2,1-2H3,(H,26,31)(H,27,30)(H3,25,28,32)