(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H34N4O2/c1-20-24(21(2)30(27-20)23-10-6-5-7-11-23)12-13-25(31)28-18-14-22(15-19-28)26(32)29-16-8-3-4-9-17-29/h5-7,10-13,22H,3-4,8-9,14-19H2,1-2H3/b13-12+