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

Systemtic Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-pyrrol-1-yl-benzamide Openeye Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-pyrrol-1-yl-benzamide CAS Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-(1-pyrrolyl)benzamide IUPAC Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide Traditional Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-pyrrol-1-yl-benzamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1N2C=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=CC=C1N2C=CC=C2)/C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21N3O3/c1-16(17-9-10-20-21(15-17)28-14-6-13-27-20)23-24-22(26)18-7-2-3-8-19(18)25-11-4-5-12-25/h2-5,7-12,15H,6,13-14H2,1H3,(H,24,26)/b23-16-