N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3,3-diphenyl-propanamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3,3-diphenyl-propanamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3,3-diphenyl-propanamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3,3-diphenylpropanamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3,3-diphenylpropanamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3,3-diphenyl-propionamide Formula: C30H34N2O3 MolecularWeight: 470.60256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C30H34N2O3/c1-21(2)19-32-26-16-15-24(17-27(26)35-20-30(3,4)29(32)34)31-28(33)18-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-17,21,25H,18-20H2,1-4H3,(H,31,33)