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

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-[3-(1-imidazolyl)prop-1-ynyl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-imidazol-1-ylprop-1-ynyl)-4-keto-1-methyl-6-(morpholinomethyl)quinoline-3-carboxamide Formula: C29H28ClN5O3 MolecularWeight: 530.01732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C(=CC(=C2)CN3CCOCC3)C#CCN4C=CN=C4)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C(=CC(=C2)CN3CCOCC3)C#CCN4C=CN=C4)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H28ClN5O3/c1-33-19-26(29(37)32-17-21-4-6-24(30)7-5-21)28(36)25-16-22(18-34-11-13-38-14-12-34)15-23(27(25)33)3-2-9-35-10-8-31-20-35/h4-8,10,15-16,19-20H,9,11-14,17-18H2,1H3,(H,32,37)