4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[6-[4-(2-chlorobenzyl)piperazino]-3-pyridyl]benzamide Formula: C27H31ClN4O MolecularWeight: 463.01424

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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)CC4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C27H31ClN4O/c1-27(2,3)22-10-8-20(9-11-22)26(33)30-23-12-13-25(29-18-23)32-16-14-31(15-17-32)19-21-6-4-5-7-24(21)28/h4-13,18H,14-17,19H2,1-3H3,(H,30,33)