1-(3-tert-butyl-4,4-dimethyl-pentyl)-5-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(3-tert-butyl-4,4-dimethyl-pentyl)-5-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(3-tert-butyl-4,4-dimethyl-pentyl)-5-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(3-tert-butyl-4,4-dimethylpentyl)-5-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(3-tert-butyl-4,4-dimethylpentyl)-5-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(3-tert-butyl-4,4-dimethyl-pentyl)-5-methyl-3H-1,4-benzodiazepin-2-one Formula: C21H32N2O MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC(=O)N(C2=CC=CC=C12)CCC(C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=NCC(=O)N(C2=CC=CC=C12)CCC(C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H32N2O/c1-15-16-10-8-9-11-17(16)23(19(24)14-22-15)13-12-18(20(2,3)4)21(5,6)7/h8-11,18H,12-14H2,1-7H3