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

Systemtic Name: 5-[4-(4-chloranyl-3-methyl-phenoxy)butyl]-3-methyl-1-(phenylcarbonyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-benzoyl-5-[4-(4-chloro-3-methyl-phenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-benzoyl-5-[4-(4-chloro-3-methylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-benzoyl-5-[4-(4-chloro-3-methylphenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-benzoyl-5-[4-(4-chloro-3-methyl-phenoxy)butyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C28H29ClN2O3 MolecularWeight: 476.99446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN2O3/c1-20-18-23(14-15-24(20)29)34-17-9-8-16-30-25-12-6-7-13-26(25)31(19-21(2)27(30)32)28(33)22-10-4-3-5-11-22/h3-7,10-15,18,21H,8-9,16-17,19H2,1-2H3