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

Systemtic Name: 5-[4-(3,4-dimethylphenoxy)butyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-5-[4-(3,4-dimethylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-5-[4-(3,4-dimethylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-5-[4-(3,4-dimethylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-5-[4-(3,4-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=CC(=C(C=C3)C)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCCOC3=CC(=C(C=C3)C)C)C(=O)C4=CC=CC=C4

InChI

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