(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-en-1-one Formula: C29H33N5O2 MolecularWeight: 483.60462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N5O2/c35-27(32-19-14-23(15-20-32)29(36)33-17-6-1-2-7-18-33)13-12-25-22-34(26-10-4-3-5-11-26)31-28(25)24-9-8-16-30-21-24/h3-5,8-13,16,21-23H,1-2,6-7,14-15,17-20H2/b13-12+