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

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3/c1-21-12-6-9-17-26(21)33-19-11-10-18-29-24-15-7-8-16-25(24)30(20-22(2)27(29)31)28(32)23-13-4-3-5-14-23/h3-9,12-17,22H,10-11,18-20H2,1-2H3