tert-butyl N-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(azepan-1-yl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate CAS Name: N-[5-(1-azepanyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(azepan-1-yl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate Traditional Name: N-[5-(azepan-1-yl)-2-keto-1-methyl-4,5-dihydro-3H-1-benzazepin-3-yl]carbamic acid tert-butyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(C2=CC=CC=C2N(C1=O)C)N3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC(C2=CC=CC=C2N(C1=O)C)N3CCCCCC3

InChI

InChI=1S/C22H33N3O3/c1-22(2,3)28-21(27)23-17-15-19(25-13-9-5-6-10-14-25)16-11-7-8-12-18(16)24(4)20(17)26/h7-8,11-12,17,19H,5-6,9-10,13-15H2,1-4H3,(H,23,27)