9-chloranyl-N-(3-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: 9-chloranyl-N-(3-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 9-chloro-N-(3-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 9-chloro-N-[3-(1-imidazolyl)phenyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 9-chloro-N-(3-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 9-chloro-N-(3-imidazol-1-ylphenyl)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2Cl)C=C1C(=O)NC3=CC=CC(=C3)N4C=CN=C4

Isomeric SMILES

C1COC2=C(C=CC=C2Cl)C=C1C(=O)NC3=CC=CC(=C3)N4C=CN=C4

InChI

InChI=1S/C20H16ClN3O2/c21-18-6-1-3-14-11-15(7-10-26-19(14)18)20(25)23-16-4-2-5-17(12-16)24-9-8-22-13-24/h1-6,8-9,11-13H,7,10H2,(H,23,25)