ethyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-7-chloranyl-8-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-7-chloranyl-8-methyl-quinoline-3-carboxylate Openeye Name: ethyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-7-chloro-8-methyl-quinoline-3-carboxylate CAS Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-7-chloro-8-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-7-chloro-8-methylquinoline-3-carboxylate Traditional Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-7-chloro-8-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NCCC3=NC4=CC=CC=C4N3)Cl)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NCCC3=NC4=CC=CC=C4N3)Cl)C

InChI

InChI=1S/C22H21ClN4O2/c1-3-29-22(28)15-12-25-20-13(2)16(23)9-8-14(20)21(15)24-11-10-19-26-17-6-4-5-7-18(17)27-19/h4-9,12H,3,10-11H2,1-2H3,(H,24,25)(H,26,27)