ethyl 6-azanyl-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-7-[4-(cyanomethyl)-1-piperazinyl]-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-7-[4-(cyanomethyl)piperazino]-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)CC#N)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)CC#N)C4CC4

InChI

InChI=1S/C21H25N5O3/c1-2-29-21(28)16-13-26(14-3-4-14)18-12-19(17(23)11-15(18)20(16)27)25-9-7-24(6-5-22)8-10-25/h11-14H,2-4,6-10,23H2,1H3