tert-butyl N-[5-(cyclohexylcarbamoyl)-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-(cyclohexylcarbamoyl)-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(cyclohexylcarbamoyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-[(cyclohexylamino)-oxomethyl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(cyclohexylcarbamoyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(cyclohexylcarbamoyl)-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H30N4O4/c1-21(2,3)29-20(28)24-16-13-25(19(27)22-14-9-5-4-6-10-14)17-12-8-7-11-15(17)23-18(16)26/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,22,27)(H,23,26)(H,24,28)