3-(cyanomethyl)-1-(2-methylpropyl)-1-[3-(3-morpholin-4-ylphenyl)phenyl]urea

Systemtic Name: 3-(cyanomethyl)-1-(2-methylpropyl)-1-[3-(3-morpholin-4-ylphenyl)phenyl]urea Openeye Name: 3-(cyanomethyl)-1-isobutyl-1-[3-(3-morpholinophenyl)phenyl]urea CAS Name: 3-(cyanomethyl)-1-(2-methylpropyl)-1-[3-[3-(4-morpholinyl)phenyl]phenyl]urea IUPAC Name: 3-(cyanomethyl)-1-(2-methylpropyl)-1-[3-(3-morpholin-4-ylphenyl)phenyl]urea Traditional Name: 3-(cyanomethyl)-1-isobutyl-1-[3-(3-morpholinophenyl)phenyl]urea Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=CC=CC(=C1)C2=CC(=CC=C2)N3CCOCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)CN(C1=CC=CC(=C1)C2=CC(=CC=C2)N3CCOCC3)C(=O)NCC#N

InChI

InChI=1S/C23H28N4O2/c1-18(2)17-27(23(28)25-10-9-24)22-8-4-6-20(16-22)19-5-3-7-21(15-19)26-11-13-29-14-12-26/h3-8,15-16,18H,10-14,17H2,1-2H3,(H,25,28)