N-(3-imidazol-1-ylphenyl)-7-methoxy-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylphenyl)-7-methoxy-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylphenyl)-7-methoxy-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)phenyl]-7-methoxy-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(3-imidazol-1-ylphenyl)-7-methoxy-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylphenyl)-7-methoxy-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCCC(=C2)C(=O)NC3=CC=CC(=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC2=C(C=C1)OCCC(=C2)C(=O)NC3=CC=CC(=C3)N4C=CN=C4

InChI

InChI=1S/C21H19N3O3/c1-26-19-5-6-20-16(12-19)11-15(7-10-27-20)21(25)23-17-3-2-4-18(13-17)24-9-8-22-14-24/h2-6,8-9,11-14H,7,10H2,1H3,(H,23,25)