3-azanyl-1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-2,3-dihydro-1,5-benzodiazepin-4-one; ethanedioic acid; hydrate

Systemtic Name: 3-azanyl-1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-2,3-dihydro-1,5-benzodiazepin-4-one; ethanedioic acid; hydrate Openeye Name: 3-amino-1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-2,3-dihydro-1,5-benzodiazepin-4-one; oxalic acid; hydrate CAS Name: 3-amino-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-1,5-benzodiazepin-4-one; oxalic acid; hydrate IUPAC Name: 3-amino-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-1,5-benzodiazepin-4-one; oxalic acid; hydrate Traditional Name: 3-amino-1-cyclohexyl-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-4-one; oxalic acid; hydrate Formula: C23H35N3O7 MolecularWeight: 465.5399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2.C2H2O4.H2O/c1-21(2,3)19(25)14-24-18-12-8-7-11-17(18)23(13-16(22)20(24)26)15-9-5-4-6-10-15;3-1(4)2(5)6;/h7-8,11-12,15-16H,4-6,9-10,13-14,22H2,1-3H3;(H,3,4)(H,5,6);1H2