N-[6-[4-(2-oxidanyl-3-phenoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[6-[4-(2-oxidanyl-3-phenoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[6-[4-(2-hydroxy-3-phenoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-acetamide CAS Name: N-[6-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide IUPAC Name: N-[6-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenylacetamide Traditional Name: N-[6-[4-(2-hydroxy-3-phenoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-acetamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)CC3=CC=CC=C3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C27H32N4O3/c32-24(21-34-25-10-5-2-6-11-25)20-30-14-7-15-31(17-16-30)26-13-12-23(19-28-26)29-27(33)18-22-8-3-1-4-9-22/h1-6,8-13,19,24,32H,7,14-18,20-21H2,(H,29,33)