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

Systemtic Name: N-[(4-butanoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N-(4-methylphenyl)propanamide Openeye Name: N-[(4-butanoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N-(p-tolyl)propanamide CAS Name: 2-methyl-N-(4-methylphenyl)-N-[[4-(1-oxobutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]propanamide IUPAC Name: N-[(4-butanoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N-(4-methylphenyl)propanamide Traditional Name: N-[(4-butyryl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-2-methyl-N-(p-tolyl)propionamide Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCOC2=C(C1)C=C(C=C2)CN(C3=CC=C(C=C3)C)C(=O)C(C)C

Isomeric SMILES

CCCC(=O)N1CCOC2=C(C1)C=C(C=C2)CN(C3=CC=C(C=C3)C)C(=O)C(C)C

InChI

InChI=1S/C25H32N2O3/c1-5-6-24(28)26-13-14-30-23-12-9-20(15-21(23)17-26)16-27(25(29)18(2)3)22-10-7-19(4)8-11-22/h7-12,15,18H,5-6,13-14,16-17H2,1-4H3