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

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-[3-(1-imidazolyl)prop-1-ynyl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-imidazol-1-ylprop-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-imidazol-1-ylprop-1-ynyl)-4-keto-1-methyl-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C28H27ClN6O3 MolecularWeight: 531.00538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C#CCN3C=CN=C3)CN4CCOCC4)C(=O)C(=N1)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2C#CCN3C=CN=C3)CN4CCOCC4)C(=O)C(=N1)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H27ClN6O3/c1-33-26-22(3-2-9-35-10-8-30-19-35)15-21(18-34-11-13-38-14-12-34)16-24(26)27(36)25(32-33)28(37)31-17-20-4-6-23(29)7-5-20/h4-8,10,15-16,19H,9,11-14,17-18H2,1H3,(H,31,37)