(E)-3-[5-(3-chlorophenyl)thiophen-2-yl]-1-(4-cyclopropylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-(3-chlorophenyl)thiophen-2-yl]-1-(4-cyclopropylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[5-(3-chlorophenyl)-2-thienyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[5-(3-chlorophenyl)-2-thiophenyl]-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[5-(3-chlorophenyl)thiophen-2-yl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[5-(3-chlorophenyl)-2-thienyl]-1-[4-(cyclopropanecarbonyl)piperazino]prop-2-en-1-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(S3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(S3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c22-17-3-1-2-16(14-17)19-8-6-18(27-19)7-9-20(25)23-10-12-24(13-11-23)21(26)15-4-5-15/h1-3,6-9,14-15H,4-5,10-13H2/b9-7+