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

Systemtic Name: N-[6-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-[4-(2-chlorobenzoyl)piperazino]-3-pyridyl]-3-methyl-but-2-enamide Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H23ClN4O2/c1-15(2)13-20(27)24-16-7-8-19(23-14-16)25-9-11-26(12-10-25)21(28)17-5-3-4-6-18(17)22/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)