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

Systemtic Name: 5-[3-(4-chloranylphenoxy)propyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-5-[3-(4-chlorophenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-5-[3-(4-chlorophenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-5-[3-(4-chlorophenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-5-[3-(4-chlorophenoxy)propyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O3/c1-19-18-29(26(31)20-8-3-2-4-9-20)24-11-6-5-10-23(24)28(25(19)30)16-7-17-32-22-14-12-21(27)13-15-22/h2-6,8-15,19H,7,16-18H2,1H3