N-[(4-chlorophenyl)methyl]-3-imidazol-1-yl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-5-prop-1-ynyl-2H-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-imidazol-1-yl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-5-prop-1-ynyl-2H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-imidazol-1-yl-1-methyl-6-(morpholinomethyl)-4-oxo-5-prop-1-ynyl-2H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(1-imidazolyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-5-prop-1-ynyl-2H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-imidazol-1-yl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-5-prop-1-ynyl-2H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-3-imidazol-1-yl-4-keto-1-methyl-6-(morpholinomethyl)-5-prop-1-ynyl-2H-cinnoline-3-carboxamide Formula: C28H29ClN6O3 MolecularWeight: 533.02126

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=CC2=C1C(=O)C(NN2C)(C(=O)NCC3=CC=C(C=C3)Cl)N4C=CN=C4)CN5CCOCC5

Isomeric SMILES

CC#CC1=C(C=CC2=C1C(=O)C(NN2C)(C(=O)NCC3=CC=C(C=C3)Cl)N4C=CN=C4)CN5CCOCC5

InChI

InChI=1S/C28H29ClN6O3/c1-3-4-23-21(18-34-13-15-38-16-14-34)7-10-24-25(23)26(36)28(32-33(24)2,35-12-11-30-19-35)27(37)31-17-20-5-8-22(29)9-6-20/h5-12,19,32H,13-18H2,1-2H3,(H,31,37)