1-[4-[(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acryloyl]piperazino]-2-methyl-propan-1-one Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCN(CC2)C(=O)C(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCN(CC2)C(=O)C(C)C)OC

InChI

InChI=1S/C21H29ClN2O4/c1-5-12-28-20-17(22)13-16(14-18(20)27-4)6-7-19(25)23-8-10-24(11-9-23)21(26)15(2)3/h6-7,13-15H,5,8-12H2,1-4H3/b7-6+