(E)-1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylbenzoyl)piperazino]-3-(3-pyridyl)prop-2-en-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C=CC3=CN=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CN=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-2-17-5-8-19(9-6-17)21(26)24-14-12-23(13-15-24)20(25)10-7-18-4-3-11-22-16-18/h3-11,16H,2,12-15H2,1H3/b10-7+