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

Systemtic Name: 3-methyl-1-(phenylcarbonyl)-5-[3-(2-prop-2-enylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 5-[3-(2-allylphenoxy)propyl]-1-benzoyl-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-3-methyl-5-[3-(2-prop-2-enylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-3-methyl-5-[3-(2-prop-2-enylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 5-[3-(2-allylphenoxy)propyl]-1-benzoyl-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=CC=C3CC=C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=CC=C3CC=C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-3-12-23-13-7-10-18-27(23)34-20-11-19-30-25-16-8-9-17-26(25)31(21-22(2)28(30)32)29(33)24-14-5-4-6-15-24/h3-10,13-18,22H,1,11-12,19-21H2,2H3