6-azanyl-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxamide

Systemtic Name: 6-azanyl-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxamide Openeye Name: 6-amino-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxamide CAS Name: 6-amino-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxamide IUPAC Name: 6-amino-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxamide Traditional Name: 6-amino-N-(4-chlorobenzyl)-4-keto-1-methyl-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxamide Formula: C27H27ClN6O2 MolecularWeight: 502.99528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H27ClN6O2/c1-32-17-21(27(36)31-16-18-5-7-19(28)8-6-18)26(35)20-14-22(29)24(15-23(20)32)33-10-12-34(13-11-33)25-4-2-3-9-30-25/h2-9,14-15,17H,10-13,16,29H2,1H3,(H,31,36)