(E)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[3-(2-oxoazepan-1-yl)propyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-[3-(2-oxo-1-azepanyl)propyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-[3-(2-oxoazepan-1-yl)propyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[3-(2-ketoazepan-1-yl)propyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O2/c32-24(28-16-8-18-30-17-6-2-5-12-25(30)33)14-13-22-20-31(23-10-3-1-4-11-23)29-26(22)21-9-7-15-27-19-21/h1,3-4,7,9-11,13-15,19-20H,2,5-6,8,12,16-18H2,(H,28,32)/b14-13+