1-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]urea IUPAC Name: 1-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)NC(C)(C)C4=CC=CC(=C4)C(=C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)NC(C)(C)C4=CC=CC(=C4)C(=C)C

InChI

InChI=1S/C27H26N6O/c1-17(2)19-9-8-10-21(14-19)27(4,5)32-26(34)31-25-20(15-28)16-29-33(25)24-13-18(3)22-11-6-7-12-23(22)30-24/h6-14,16H,1H2,2-5H3,(H2,31,32,34)