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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-33-23-10-5-9-21(18-23)26(32)28-22-11-12-24(27-19-22)29-13-6-14-30(16-15-29)25(31)17-20-7-3-2-4-8-20/h2-5,7-12,18-19H,6,13-17H2,1H3,(H,28,32)