(4S)-5-[2-(4-chloranyl-2-propanoyl-phenoxy)ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-5-[2-(4-chloranyl-2-propanoyl-phenoxy)ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-(4-chloro-2-propanoyl-phenoxy)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[2-[4-chloro-2-(1-oxopropyl)phenoxy]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-[2-(4-chloro-2-propanoylphenoxy)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-(4-chloro-2-propionyl-phenoxy)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Cl)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Cl)OCC(=O)N2[C@H](CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C21H21ClN2O4/c1-3-18(25)15-11-14(22)8-9-19(15)28-12-21(27)24-13(2)10-20(26)23-16-6-4-5-7-17(16)24/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,26)/t13-/m0/s1