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

Systemtic Name: N-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl]-4-methyl-benzamide Openeye Name: N-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridyl]-4-methyl-benzamide CAS Name: N-[6-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]-4-methylbenzamide IUPAC Name: N-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridin-3-yl]-4-methylbenzamide Traditional Name: N-[6-[4-(3,3-dimethylbutanoyl)piperazino]-3-pyridyl]-4-methyl-benzamide Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-17-5-7-18(8-6-17)22(29)25-19-9-10-20(24-16-19)26-11-13-27(14-12-26)21(28)15-23(2,3)4/h5-10,16H,11-15H2,1-4H3,(H,25,29)