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

Systemtic Name: (E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-[4-(cyclopropanecarbonyl)piperazino]prop-2-en-1-one Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2/c26-20(23-10-12-24(13-11-23)21(27)19-7-8-19)9-6-18-14-22-25(16-18)15-17-4-2-1-3-5-17/h1-6,9,14,16,19H,7-8,10-13,15H2/b9-6+