7-bromanyl-N-(4-morpholin-4-ylphenyl)-1-benzoxepine-4-carboxamide

Systemtic Name: 7-bromanyl-N-(4-morpholin-4-ylphenyl)-1-benzoxepine-4-carboxamide Openeye Name: 7-bromo-N-(4-morpholinophenyl)-1-benzoxepine-4-carboxamide CAS Name: 7-bromo-N-[4-(4-morpholinyl)phenyl]-1-benzoxepin-4-carboxamide IUPAC Name: 7-bromo-N-(4-morpholin-4-ylphenyl)-1-benzoxepine-4-carboxamide Traditional Name: 7-bromo-N-(4-morpholinophenyl)-1-benzoxepin-4-carboxamide Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC=C3

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC=C3

InChI

InChI=1S/C21H19BrN2O3/c22-17-1-6-20-16(14-17)13-15(7-10-27-20)21(25)23-18-2-4-19(5-3-18)24-8-11-26-12-9-24/h1-7,10,13-14H,8-9,11-12H2,(H,23,25)