1-(3-chloranyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-propoxyphenyl)prop-2-yn-1-one

Systemtic Name: 1-(3-chloranyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-propoxyphenyl)prop-2-yn-1-one Openeye Name: 1-(3-chloro-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-propoxyphenyl)prop-2-yn-1-one CAS Name: 1-[3-chloro-4-(2-pyrimidinyl)-1-piperazinyl]-3-(4-propoxyphenyl)-2-propyn-1-one IUPAC Name: 1-(3-chloro-4-pyrimidin-2-ylpiperazin-1-yl)-3-(4-propoxyphenyl)prop-2-yn-1-one Traditional Name: 1-[3-chloro-4-(2-pyrimidyl)piperazino]-3-(4-propoxyphenyl)prop-2-yn-1-one Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)Cl)C3=NC=CC=N3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)Cl)C3=NC=CC=N3

InChI

InChI=1S/C20H21ClN4O2/c1-2-14-27-17-7-4-16(5-8-17)6-9-19(26)24-12-13-25(18(21)15-24)20-22-10-3-11-23-20/h3-5,7-8,10-11,18H,2,12-15H2,1H3