(E)-3-(3-chloranyl-4-methyl-phenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-4-methyl-phenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-4-methyl-phenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-4-methylphenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acrylamide Formula: C21H26ClN5O MolecularWeight: 399.91704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C21H26ClN5O/c1-17-4-5-18(16-19(17)22)6-7-20(28)23-10-3-11-26-12-14-27(15-13-26)21-24-8-2-9-25-21/h2,4-9,16H,3,10-15H2,1H3,(H,23,28)/b7-6+