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

Systemtic Name: 3-methyl-5-[3-(3-methylphenoxy)propyl]-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-3-methyl-5-[3-(3-methylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-3-methyl-5-[3-(3-methylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-3-methyl-5-[3-(3-methylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-3-methyl-5-[3-(3-methylphenoxy)propyl]-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)CCCOC3=CC=CC(=C3)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=CC(=C3)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c1-20-10-8-13-23(18-20)32-17-9-16-28-24-14-6-7-15-25(24)29(19-21(2)26(28)30)27(31)22-11-4-3-5-12-22/h3-8,10-15,18,21H,9,16-17,19H2,1-2H3