5-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 5-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-5-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-5-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-5-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-5-[2-(4-tert-butylphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCOC3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCOC3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O3/c1-21-20-31(28(33)22-10-6-5-7-11-22)26-13-9-8-12-25(26)30(27(21)32)18-19-34-24-16-14-23(15-17-24)29(2,3)4/h5-17,21H,18-20H2,1-4H3