N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrrol-1-ylphenyl)ethanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrrol-1-ylphenyl)acetamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(1-pyrrolyl)phenyl]acetamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrrol-1-ylphenyl)acetamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(4-pyrrol-1-ylphenyl)acetamide Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CC3=CC=C(C=C3)N4C=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CC3=CC=C(C=C3)N4C=CC=C4)Cl)OC1

InChI

InChI=1S/C21H19ClN2O3/c22-17-13-19-20(27-11-3-10-26-19)14-18(17)23-21(25)12-15-4-6-16(7-5-15)24-8-1-2-9-24/h1-2,4-9,13-14H,3,10-12H2,(H,23,25)