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

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

Isomeric SMILES

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

InChI

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