(E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-1-[4-(cyclopropanecarbonyl)piperazino]prop-2-en-1-one Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c32-25(29-15-17-30(18-16-29)27(33)23-11-12-23)14-13-24-20-31(19-21-7-3-1-4-8-21)28-26(24)22-9-5-2-6-10-22/h1-10,13-14,20,23H,11-12,15-19H2/b14-13+