quinolin-2-ylmethyl 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: quinolin-2-ylmethyl 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: 2-quinolylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-quinolylmethyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-quinolinylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-quinolylmethyl)piperazino]quinoline-3-carboxylic acid 2-quinolylmethyl ester Formula: C37H32FN5O3 MolecularWeight: 613.680083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=NC6=CC=CC=C6C=C5)F)C(=O)OCC7=NC8=CC=CC=C8C=C7

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=NC6=CC=CC=C6C=C5)F)C(=O)OCC7=NC8=CC=CC=C8C=C7

InChI

InChI=1S/C37H32FN5O3/c38-31-19-29-34(20-35(31)42-17-15-41(16-18-42)21-26-11-9-24-5-1-3-7-32(24)39-26)43(28-13-14-28)22-30(36(29)44)37(45)46-23-27-12-10-25-6-2-4-8-33(25)40-27/h1-12,19-20,22,28H,13-18,21,23H2