4-chloranyl-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-butyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-butyl]benzamide Openeye Name: 4-chloro-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxo-butyl]benzamide CAS Name: 4-chloro-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutyl]benzamide IUPAC Name: 4-chloro-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutyl]benzamide Traditional Name: 4-chloro-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-keto-butyl]benzamide Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl)OC1

InChI

InChI=1S/C20H21ClN2O4/c21-15-6-4-14(5-7-15)20(25)22-10-1-3-19(24)23-16-8-9-17-18(13-16)27-12-2-11-26-17/h4-9,13H,1-3,10-12H2,(H,22,25)(H,23,24)