N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21N3O3/c1-15(16-3-6-18(7-4-16)24-10-9-22-14-24)23-21(25)17-5-8-19-20(13-17)27-12-2-11-26-19/h3-10,13-15H,2,11-12H2,1H3,(H,23,25)