4-(3-imidazol-1-ylpropyl)-3-oxidanylidene-N-phenethyl-5H-1,4-benzoxazepine-5-carboxamide

Systemtic Name: 4-(3-imidazol-1-ylpropyl)-3-oxidanylidene-N-phenethyl-5H-1,4-benzoxazepine-5-carboxamide Openeye Name: 4-(3-imidazol-1-ylpropyl)-3-oxo-N-phenethyl-5H-1,4-benzoxazepine-5-carboxamide CAS Name: 4-[3-(1-imidazolyl)propyl]-3-oxo-N-phenethyl-5H-1,4-benzoxazepine-5-carboxamide IUPAC Name: 4-(3-imidazol-1-ylpropyl)-3-oxo-N-phenethyl-5H-1,4-benzoxazepine-5-carboxamide Traditional Name: 4-(3-imidazol-1-ylpropyl)-3-keto-N-phenethyl-5H-1,4-benzoxazepine-5-carboxamide Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)NCCC3=CC=CC=C3)CCCN4C=CN=C4

Isomeric SMILES

C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)NCCC3=CC=CC=C3)CCCN4C=CN=C4

InChI

InChI=1S/C24H26N4O3/c29-22-17-31-21-10-5-4-9-20(21)23(28(22)15-6-14-27-16-13-25-18-27)24(30)26-12-11-19-7-2-1-3-8-19/h1-5,7-10,13,16,18,23H,6,11-12,14-15,17H2,(H,26,30)