(3R)-N-[4-(azepan-1-ylcarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[4-(azepan-1-ylcarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(azepane-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-[1-azepanyl(oxo)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(azepane-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(azepane-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O4/c25-21(20-15-27-18-7-3-4-8-19(18)28-20)23-17-11-9-16(10-12-17)22(26)24-13-5-1-2-6-14-24/h3-4,7-12,20H,1-2,5-6,13-15H2,(H,23,25)/t20-/m1/s1