N-tert-butyl-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide

Systemtic Name: N-tert-butyl-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Openeye Name: 4-(1-benzyl-4-piperidyl)-N-tert-butyl-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxamide CAS Name: N-tert-butyl-3-oxo-4-[1-(phenylmethyl)-4-piperidinyl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide IUPAC Name: 4-(1-benzylpiperidin-4-yl)-N-tert-butyl-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Traditional Name: 4-(1-benzyl-4-piperidyl)-N-tert-butyl-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxamide Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)NC(C)(C)C)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)NC(C)(C)C)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H39N3O3/c1-20(2)26-28(34)32(22-15-17-31(18-16-22)19-21-11-7-6-8-12-21)25(27(33)30-29(3,4)5)23-13-9-10-14-24(23)35-26/h6-14,20,22,25-26H,15-19H2,1-5H3,(H,30,33)