N-[(4-cyclohexylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N-(4-methylphenyl)propanamide

Systemtic Name: N-[(4-cyclohexylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N-(4-methylphenyl)propanamide Openeye Name: N-[[4-(cyclohexanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-methyl-N-(p-tolyl)propanamide CAS Name: N-[[4-[cyclohexyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-methyl-N-(4-methylphenyl)propanamide IUPAC Name: N-[[4-(cyclohexanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-methyl-N-(4-methylphenyl)propanamide Traditional Name: N-[[4-(cyclohexanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-methyl-N-(p-tolyl)propionamide Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CCCCC4)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CCCCC4)C(=O)C(C)C

InChI

InChI=1S/C28H36N2O3/c1-20(2)27(31)30(25-12-9-21(3)10-13-25)18-22-11-14-26-24(17-22)19-29(15-16-33-26)28(32)23-7-5-4-6-8-23/h9-14,17,20,23H,4-8,15-16,18-19H2,1-3H3