4-[(2E)-2-(4-chloranyl-2-oxidanylidene-pyridin-3-ylidene)-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(2E)-2-(4-chloranyl-2-oxidanylidene-pyridin-3-ylidene)-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[(2E)-2-(4-chloro-2-oxo-3-pyridylidene)-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazine-1-carboxylic acid CAS Name: 4-[(2E)-2-(4-chloro-2-oxo-3-pyridinylidene)-7-methyl-1,3-dihydrobenzimidazol-5-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(2E)-2-(4-chloro-2-oxopyridin-3-ylidene)-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-[(2E)-2-(4-chloro-2-keto-3-pyridylidene)-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazine-1-carboxylic acid Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)Cl)N2)N4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)Cl)/N2)N4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H18ClN5O3/c1-10-8-11(23-4-6-24(7-5-23)18(26)27)9-13-15(10)22-16(21-13)14-12(19)2-3-20-17(14)25/h2-3,8-9,21-22H,4-7H2,1H3,(H,26,27)/b16-14-