3-azanyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-(3,3-dimethyl-2-oxo-butyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-(3,3-dimethyl-2-oxobutyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(3,3-dimethyl-2-oxobutyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-21(2,3)17(25)13-24-16-12-8-7-11-15(16)18(23-19(22)20(24)26)14-9-5-4-6-10-14/h4-12,19H,13,22H2,1-3H3