N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)OC1

InChI

InChI=1S/C20H20N2O4/c23-19(21-15-6-7-15)13-3-1-4-16(11-13)22-20(24)14-5-8-17-18(12-14)26-10-2-9-25-17/h1,3-5,8,11-12,15H,2,6-7,9-10H2,(H,21,23)(H,22,24)