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

Systemtic Name: 5-[2-(3,4-dimethylphenoxy)ethyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-5-[2-(3,4-dimethylphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-5-[2-(3,4-dimethylphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-5-[2-(3,4-dimethylphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-5-[2-(3,4-dimethylphenoxy)ethyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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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(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c1-19-13-14-23(17-20(19)2)32-16-15-28-24-11-7-8-12-25(24)29(18-21(3)26(28)30)27(31)22-9-5-4-6-10-22/h4-14,17,21H,15-16,18H2,1-3H3