3-methyl-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 3-methyl-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-methyl-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 3-methyl-N-[6-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 3-methyl-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: N-[6-(4-isovalerylpiperazino)-3-pyridyl]-3-methyl-benzamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C22H28N4O2/c1-16(2)13-21(27)26-11-9-25(10-12-26)20-8-7-19(15-23-20)24-22(28)18-6-4-5-17(3)14-18/h4-8,14-16H,9-13H2,1-3H3,(H,24,28)