N-(4-tert-butylphenyl)-5-(3-chloranylpyridin-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-5-(3-chloranylpyridin-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide Openeye Name: N-(4-tert-butylphenyl)-5-(3-chloro-2-pyridyl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide CAS Name: N-(4-tert-butylphenyl)-5-(3-chloro-2-pyridinyl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide IUPAC Name: N-(4-tert-butylphenyl)-5-(3-chloropyridin-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide Traditional Name: N-(4-tert-butylphenyl)-5-(3-chloro-2-pyridyl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide Formula: C25H26ClN3O2 MolecularWeight: 435.94584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)N(CCCO3)C4=C(C=CC=N4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)N(CCCO3)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C25H26ClN3O2/c1-25(2,3)17-10-12-18(13-11-17)28-24(30)19-7-4-9-21-22(19)31-16-6-15-29(21)23-20(26)8-5-14-27-23/h4-5,7-14H,6,15-16H2,1-3H3,(H,28,30)