(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[4-(4-morpholinyl)phenyl]-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-(4-morpholinophenyl)acrylamide Formula: C29H26N6O2 MolecularWeight: 490.55574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C(=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)/C#N

InChI

InChI=1S/C29H26N6O2/c30-18-24(29(36)32-26-8-10-27(11-9-26)34-13-15-37-16-14-34)17-25-21-35(20-22-5-2-1-3-6-22)33-28(25)23-7-4-12-31-19-23/h1-12,17,19,21H,13-16,20H2,(H,32,36)/b24-17+