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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(2-pyridin-3-ylethynyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholinomethyl)-4-oxo-8-[2-(3-pyridyl)ethynyl]quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-8-[2-(3-pyridinyl)ethynyl]-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-8-(2-pyridin-3-ylethynyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-methyl-6-(morpholinomethyl)-8-[2-(3-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=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H27ClN4O3/c1-34-20-27(30(37)33-18-22-5-8-25(31)9-6-22)29(36)26-16-23(19-35-11-13-38-14-12-35)15-24(28(26)34)7-4-21-3-2-10-32-17-21/h2-3,5-6,8-10,15-17,20H,11-14,18-19H2,1H3,(H,33,37)