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

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Formula: C25H31ClN4O2 MolecularWeight: 454.99224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCC(CC2)C(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H31ClN4O2/c1-19-22(24(26)30(27-19)21-9-5-4-6-10-21)11-12-23(31)28-17-13-20(14-18-28)25(32)29-15-7-2-3-8-16-29/h4-6,9-12,20H,2-3,7-8,13-18H2,1H3/b12-11+