N-(3-imidazol-1-ylphenyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylphenyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylphenyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(3-imidazol-1-ylphenyl)-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-4-carboxamide Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)N4C=CN=C4

Isomeric SMILES

C1COC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)N4C=CN=C4

InChI

InChI=1S/C20H19N3O2/c24-20(16-8-11-25-19-7-2-1-4-15(19)12-16)22-17-5-3-6-18(13-17)23-10-9-21-14-23/h1-7,9-10,13-14,16H,8,11-12H2,(H,22,24)