N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(2-pyridin-4-ylethynyl)quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(2-pyridin-4-ylethynyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholinomethyl)-4-oxo-8-[2-(4-pyridyl)ethynyl]quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-8-(2-pyridin-4-ylethynyl)-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-8-(2-pyridin-4-ylethynyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-methyl-6-(morpholinomethyl)-8-[2-(4-pyridyl)ethynyl]quinoline-3-carboxamide Formula: C30H27ClN4O3 MolecularWeight: 527.01338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C(=CC(=C2)CN3CCOCC3)C#CC4=CC=NC=C4)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C(=CC(=C2)CN3CCOCC3)C#CC4=CC=NC=C4)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H27ClN4O3/c1-34-20-27(30(37)33-18-22-3-6-25(31)7-4-22)29(36)26-17-23(19-35-12-14-38-15-13-35)16-24(28(26)34)5-2-21-8-10-32-11-9-21/h3-4,6-11,16-17,20H,12-15,18-19H2,1H3,(H,33,37)