4-tert-butyl-N-[6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-(4-benzoylpiperazin-1-yl)-3-pyridyl]-4-tert-butyl-benzamide CAS Name: N-[6-(4-benzoyl-1-piperazinyl)-3-pyridinyl]-4-tert-butylbenzamide IUPAC Name: N-[6-(4-benzoylpiperazin-1-yl)pyridin-3-yl]-4-tert-butylbenzamide Traditional Name: N-[6-(4-benzoylpiperazino)-3-pyridyl]-4-tert-butyl-benzamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c1-27(2,3)22-11-9-20(10-12-22)25(32)29-23-13-14-24(28-19-23)30-15-17-31(18-16-30)26(33)21-7-5-4-6-8-21/h4-14,19H,15-18H2,1-3H3,(H,29,32)