N-[(4-chlorophenyl)methyl]-1-methyl-8-(3-methylbut-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-8-(3-methylbut-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-methyl-8-(3-methylbut-1-ynyl)-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-methyl-8-(3-methylbut-1-ynyl)-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-methyl-8-(3-methylbut-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-methyl-8-(3-methylbut-1-ynyl)-6-(morpholinomethyl)quinoline-3-carboxamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1=CC(=CC2=C1N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)CN4CCOCC4

Isomeric SMILES

CC(C)C#CC1=CC(=CC2=C1N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)CN4CCOCC4

InChI

InChI=1S/C28H30ClN3O3/c1-19(2)4-7-22-14-21(17-32-10-12-35-13-11-32)15-24-26(22)31(3)18-25(27(24)33)28(34)30-16-20-5-8-23(29)9-6-20/h5-6,8-9,14-15,18-19H,10-13,16-17H2,1-3H3,(H,30,34)