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

Systemtic Name: 2-methoxy-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-methoxy-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 2-methoxy-N-[6-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 2-methoxy-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: N-[6-(4-isovalerylpiperazino)-3-pyridyl]-2-methoxy-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O3/c1-16(2)14-21(27)26-12-10-25(11-13-26)20-9-8-17(15-23-20)24-22(28)18-6-4-5-7-19(18)29-3/h4-9,15-16H,10-14H2,1-3H3,(H,24,28)