3-chloranyl-N-[2-methyl-1-(pyridin-4-ylcarbonylamino)propan-2-yl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: 3-chloranyl-N-[2-methyl-1-(pyridin-4-ylcarbonylamino)propan-2-yl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-[1,1-dimethyl-2-(pyridine-4-carbonylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-[2-methyl-1-[[oxo(pyridin-4-yl)methyl]amino]propan-2-yl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-[2-methyl-1-(pyridine-4-carbonylamino)propan-2-yl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-(2-isonicotinamido-1,1-dimethyl-ethyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=NC=C1)NC(=O)N2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=NC=C1)NC(=O)N2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN4O3/c1-24(2,15-27-22(30)16-9-11-26-12-10-16)28-23(31)29-14-17-5-3-4-6-20(17)32-21-8-7-18(25)13-19(21)29/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,31)