4-tert-butyl-N-[6-[4-(2-oxidanyl-3-propan-2-yloxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[6-[4-(2-oxidanyl-3-propan-2-yloxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-3-isopropoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-3-isopropoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)O

Isomeric SMILES

CC(C)OCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)O

InChI

InChI=1S/C27H40N4O3/c1-20(2)34-19-24(32)18-30-13-6-14-31(16-15-30)25-12-11-23(17-28-25)29-26(33)21-7-9-22(10-8-21)27(3,4)5/h7-12,17,20,24,32H,6,13-16,18-19H2,1-5H3,(H,29,33)