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

Systemtic Name: 2-phenoxy-N-[6-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]pyridin-3-yl]ethanamide Openeye Name: 2-phenoxy-N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridyl]acetamide CAS Name: N-[6-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: 2-phenoxy-N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridin-3-yl]acetamide Traditional Name: 2-phenoxy-N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridyl]acetamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c31-25(20-33-23-10-5-2-6-11-23)28-22-12-13-24(27-19-22)29-14-7-15-30(17-16-29)26(32)18-21-8-3-1-4-9-21/h1-6,8-13,19H,7,14-18,20H2,(H,28,31)