5-[4-(2,6-dimethylphenoxy)butyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 5-[4-(2,6-dimethylphenoxy)butyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-5-[4-(2,6-dimethylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-5-[4-(2,6-dimethylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-5-[4-(2,6-dimethylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-5-[4-(2,6-dimethylphenoxy)butyl]-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)CCCCOC3=C(C=CC=C3C)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=C(C=CC=C3C)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O3/c1-21-12-11-13-22(2)27(21)34-19-10-9-18-30-25-16-7-8-17-26(25)31(20-23(3)28(30)32)29(33)24-14-5-4-6-15-24/h4-8,11-17,23H,9-10,18-20H2,1-3H3