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

Systemtic Name: N-[6-[4-(4-bromophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-(4-bromobenzoyl)piperazin-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-[4-(4-bromobenzoyl)piperazino]-3-pyridyl]-3-methyl-but-2-enamide Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2/c1-15(2)13-20(27)24-18-7-8-19(23-14-18)25-9-11-26(12-10-25)21(28)16-3-5-17(22)6-4-16/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)