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

Systemtic Name: 5-[3-(2,3-dimethylphenoxy)propyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-5-[3-(2,3-dimethylphenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-5-[3-(2,3-dimethylphenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-5-[3-(2,3-dimethylphenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-5-[3-(2,3-dimethylphenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=CC(=C3C)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=CC(=C3C)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-20-11-9-16-26(22(20)3)33-18-10-17-29-24-14-7-8-15-25(24)30(19-21(2)27(29)31)28(32)23-12-5-4-6-13-23/h4-9,11-16,21H,10,17-19H2,1-3H3