4-tert-butyl-N-[6-[4-(2-oxidanyl-2-phenyl-ethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[6-[4-(2-oxidanyl-2-phenyl-ethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-2-phenyl-ethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-2-phenyl-ethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C29H36N4O2 MolecularWeight: 472.62174

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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)N3CCCN(CC3)CC(C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC(C4=CC=CC=C4)O

InChI

InChI=1S/C29H36N4O2/c1-29(2,3)24-12-10-23(11-13-24)28(35)31-25-14-15-27(30-20-25)33-17-7-16-32(18-19-33)21-26(34)22-8-5-4-6-9-22/h4-6,8-15,20,26,34H,7,16-19,21H2,1-3H3,(H,31,35)