tert-butyl N-(1-methyl-2-oxidanylidene-5-piperidin-1-yl-3H-1,4-benzodiazepin-3-yl)carbamate

Systemtic Name: tert-butyl N-(1-methyl-2-oxidanylidene-5-piperidin-1-yl-3H-1,4-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-[1-methyl-2-oxo-5-(1-piperidyl)-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-methyl-2-oxo-5-(1-piperidinyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-methyl-2-oxo-5-piperidin-1-yl-3H-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(2-keto-1-methyl-5-piperidino-3H-1,4-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)N3CCCCC3)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)N3CCCCC3)C

InChI

InChI=1S/C20H28N4O3/c1-20(2,3)27-19(26)22-16-18(25)23(4)15-11-7-6-10-14(15)17(21-16)24-12-8-5-9-13-24/h6-7,10-11,16H,5,8-9,12-13H2,1-4H3,(H,22,26)