ethyl 2-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(cyclopropanecarbonyl)piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C(=O)C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C(=O)C4CC4)C

InChI

InChI=1S/C22H27N3O3/c1-3-28-22(27)20-15(2)17-6-4-5-7-18(17)23-19(20)14-24-10-12-25(13-11-24)21(26)16-8-9-16/h4-7,16H,3,8-14H2,1-2H3