methyl 5-[4-(4-chlorophenyl)-3,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[4-(4-chlorophenyl)-3,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[4-(4-chlorophenyl)-3,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate CAS Name: 5-[4-(4-chlorophenyl)-3,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[4-(4-chlorophenyl)-3,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxopentanoate Traditional Name: 5-[4-(4-chlorophenyl)-3,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-keto-valeric acid methyl ester Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)C1=NC2=CC=CC=C2CN(N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCCC(=O)C1=NC2=CC=CC=C2CN(N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-27-19(26)8-4-7-18(25)20-22-17-6-3-2-5-14(17)13-24(23-20)16-11-9-15(21)10-12-16/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,23)