6-chloranyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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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)Cl)OCCCO4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H20ClN3O3/c1-14(15-3-5-17(6-4-15)25-8-7-23-13-25)24-21(26)16-11-18(22)20-19(12-16)27-9-2-10-28-20/h3-8,11-14H,2,9-10H2,1H3,(H,24,26)/t14-/m1/s1