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

Systemtic Name: tert-butyl 2-(3-azanyl-1-cycloheptyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl)ethanoate Openeye Name: tert-butyl 2-(3-amino-1-cycloheptyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetate CAS Name: 2-(3-amino-1-cycloheptyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-1-cycloheptyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl)acetate Traditional Name: 2-(3-amino-1-cycloheptyl-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl)acetic acid tert-butyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)N)C3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2N(CC(C1=O)N)C3CCCCCC3

InChI

InChI=1S/C22H33N3O3/c1-22(2,3)28-20(26)15-25-19-13-9-8-12-18(19)24(14-17(23)21(25)27)16-10-6-4-5-7-11-16/h8-9,12-13,16-17H,4-7,10-11,14-15,23H2,1-3H3