(E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide

Systemtic Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide Openeye Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(2-morpholinoethyl)prop-2-enamide CAS Name: (E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-[2-(4-morpholinyl)ethyl]-2-propenamide IUPAC Name: (E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide Traditional Name: (E)-3-[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(2-morpholinoethyl)acrylamide Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCN3CCOCC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCN3CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C30H35N5O3/c1-3-4-16-38-27-10-11-28(23(2)19-27)29-25(22-35(33-29)26-8-6-5-7-9-26)20-24(21-31)30(36)32-12-13-34-14-17-37-18-15-34/h5-11,19-20,22H,3-4,12-18H2,1-2H3,(H,32,36)/b24-20+