methyl 2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-6-carboxylate

Systemtic Name: methyl 2-methyl-4-oxidanylidene-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-6-carboxylate Openeye Name: methyl 2-methyl-4-oxo-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-6-carboxylate CAS Name: 2-methyl-4-oxo-3-[(4-phenyl-1-piperazinyl)methyl]-1H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-oxo-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[(4-phenylpiperazino)methyl]-1H-quinoline-6-carboxylic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-16-20(15-25-10-12-26(13-11-25)18-6-4-3-5-7-18)22(27)19-14-17(23(28)29-2)8-9-21(19)24-16/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)