tert-butyl 2-(3-azanyl-1-cyclohexylcarbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-azanyl-1-cyclohexylcarbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl)ethanoate Openeye Name: tert-butyl 2-[3-amino-1-(cyclohexanecarbonyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[3-amino-1-[cyclohexyl(oxo)methyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-amino-1-(cyclohexanecarbonyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[3-amino-1-(cyclohexanecarbonyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)N)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)N)C(=O)C3CCCCC3

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)29-19(26)14-25-18-12-8-7-11-17(18)24(13-16(23)21(25)28)20(27)15-9-5-4-6-10-15/h7-8,11-12,15-16H,4-6,9-10,13-14,23H2,1-3H3