6-chloranyl-N-[4-(3-methylphenoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[4-(3-methylphenoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-(3-methylphenoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-(3-methylphenoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[4-(3-methylphenoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(3-methylphenoxy)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C23H20ClNO4 MolecularWeight: 409.8622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C23H20ClNO4/c1-15-4-2-5-19(12-15)29-18-8-6-17(7-9-18)25-23(26)16-13-20(24)22-21(14-16)27-10-3-11-28-22/h2,4-9,12-14H,3,10-11H2,1H3,(H,25,26)