methyl 2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylate

Systemtic Name: methyl 2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylate Openeye Name: methyl 3-[(4-isopropylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylate CAS Name: 2-phenyl-3-[(4-propan-2-yl-1-piperazinyl)methyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylate Traditional Name: 3-[(4-isopropylpiperazino)methyl]-2-phenyl-cinchoninic acid methyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H29N3O2/c1-18(2)28-15-13-27(14-16-28)17-21-23(25(29)30-3)20-11-7-8-12-22(20)26-24(21)19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3