N-[(4-chlorophenyl)methyl]-8-imidazol-1-yl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-3-prop-1-ynyl-2H-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-imidazol-1-yl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-3-prop-1-ynyl-2H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-imidazol-1-yl-1-methyl-6-(morpholinomethyl)-4-oxo-3-prop-1-ynyl-2H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(1-imidazolyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-prop-1-ynyl-2H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-imidazol-1-yl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-3-prop-1-ynyl-2H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-imidazol-1-yl-4-keto-1-methyl-6-(morpholinomethyl)-3-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(=O)C2=CC(=CC(=C2N(N1)C)N3C=CN=C3)CN4CCOCC4)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

CC#CC1(C(=O)C2=CC(=CC(=C2N(N1)C)N3C=CN=C3)CN4CCOCC4)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H29ClN6O3/c1-3-8-28(27(37)31-17-20-4-6-22(29)7-5-20)26(36)23-15-21(18-34-11-13-38-14-12-34)16-24(25(23)33(2)32-28)35-10-9-30-19-35/h4-7,9-10,15-16,19,32H,11-14,17-18H2,1-2H3,(H,31,37)