N-[[4-(3-methylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenyl-cyclopropanecarboxamide

Systemtic Name: N-[[4-(3-methylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenyl-cyclopropanecarboxamide Openeye Name: N-[[4-(3-methylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenyl-cyclopropanecarboxamide CAS Name: N-[[4-[(3-methylphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenylcyclopropanecarboxamide IUPAC Name: N-[[4-(3-methylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N-phenylcyclopropanecarboxamide Traditional Name: N-[(4-m-toluoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-N-phenyl-cyclopropanecarboxamide Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN(C4=CC=CC=C4)C(=O)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN(C4=CC=CC=C4)C(=O)C5CC5

InChI

InChI=1S/C28H28N2O3/c1-20-6-5-7-23(16-20)27(31)29-14-15-33-26-13-10-21(17-24(26)19-29)18-30(28(32)22-11-12-22)25-8-3-2-4-9-25/h2-10,13,16-17,22H,11-12,14-15,18-19H2,1H3