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

Systemtic Name: methyl 5-[5-(4-chlorophenyl)-4,5-dihydro-3H-1,3,4-benzotriazepin-2-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[5-(4-chlorophenyl)-4,5-dihydro-3H-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate CAS Name: 5-[5-(4-chlorophenyl)-4,5-dihydro-3H-1,3,4-benzotriazepin-2-yl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[5-(4-chlorophenyl)-4,5-dihydro-3H-1,3,4-benzotriazepin-2-yl]-5-oxopentanoate Traditional Name: 5-[5-(4-chlorophenyl)-4,5-dihydro-3H-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=C2C(NN1)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCCC(=O)C1=NC2=CC=CC=C2C(NN1)C3=CC=C(C=C3)Cl

InChI

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