N-[6-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide

Systemtic Name: N-[6-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-[4-(2,4-dichlorobenzoyl)piperazino]-3-pyridyl]-3-methyl-but-2-enamide Formula: C21H22Cl2N4O2 MolecularWeight: 433.33098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C21H22Cl2N4O2/c1-14(2)11-20(28)25-16-4-6-19(24-13-16)26-7-9-27(10-8-26)21(29)17-5-3-15(22)12-18(17)23/h3-6,11-13H,7-10H2,1-2H3,(H,25,28)