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

Systemtic Name: 7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(3,3-dimethyl-2-oxo-butyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-(3,3-dimethyl-2-oxobutyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one Formula: C24H27ClN2O2 MolecularWeight: 410.93638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)C(C)(C)C

Isomeric SMILES

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)C(C)(C)C

InChI

InChI=1S/C24H27ClN2O2/c1-5-9-19-23(29)27(15-21(28)24(2,3)4)20-13-12-17(25)14-18(20)22(26-19)16-10-7-6-8-11-16/h6-8,10-14,19H,5,9,15H2,1-4H3