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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c24-21(20-15-25-18-7-3-4-8-19(18)26-20)22-16-9-11-17(12-10-16)23-13-5-1-2-6-14-23/h3-4,7-12,20H,1-2,5-6,13-15H2,(H,22,24)