N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-pyrrol-1-yl-benzamide Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C22H22N2O3/c1-16(18-7-10-20-21(15-18)27-14-4-13-26-20)23-22(25)17-5-8-19(9-6-17)24-11-2-3-12-24/h2-3,5-12,15-16H,4,13-14H2,1H3,(H,23,25)