1-[2-(2-azanyl-4-methyl-pentanoyl)-6-(2-oxidanylideneethyl)phenyl]-3-(3-ethynyl-2-methyl-phenyl)urea

Systemtic Name: 1-[2-(2-azanyl-4-methyl-pentanoyl)-6-(2-oxidanylideneethyl)phenyl]-3-(3-ethynyl-2-methyl-phenyl)urea Openeye Name: 1-[2-(2-amino-4-methyl-pentanoyl)-6-(2-oxoethyl)phenyl]-3-(3-ethynyl-2-methyl-phenyl)urea CAS Name: 1-[2-(2-amino-4-methyl-1-oxopentyl)-6-(2-oxoethyl)phenyl]-3-(3-ethynyl-2-methylphenyl)urea IUPAC Name: 1-[2-(2-amino-4-methylpentanoyl)-6-(2-oxoethyl)phenyl]-3-(3-ethynyl-2-methylphenyl)urea Traditional Name: 1-[2-(2-amino-4-methyl-pentanoyl)-6-(2-ketoethyl)phenyl]-3-(3-ethynyl-2-methyl-phenyl)urea Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NC2=C(C=CC=C2CC=O)C(=O)C(CC(C)C)N)C#C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NC2=C(C=CC=C2CC=O)C(=O)C(CC(C)C)N)C#C

InChI

InChI=1S/C24H27N3O3/c1-5-17-8-7-11-21(16(17)4)26-24(30)27-22-18(12-13-28)9-6-10-19(22)23(29)20(25)14-15(2)3/h1,6-11,13,15,20H,12,14,25H2,2-4H3,(H2,26,27,30)