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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-8-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-6-(morpholinomethyl)-4-oxo-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-6-(4-morpholinylmethyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-6-(morpholin-4-ylmethyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybut-1-ynyl)-4-keto-6-(morpholinomethyl)-1H-cinnoline-3-carboxamide Formula: C25H25ClN4O4 MolecularWeight: 480.9434

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC3=C(C(=C2)C#CCCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1CC2=CC3=C(C(=C2)C#CCCO)NN=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN4O4/c26-20-6-4-17(5-7-20)15-27-25(33)23-24(32)21-14-18(16-30-8-11-34-12-9-30)13-19(3-1-2-10-31)22(21)28-29-23/h4-7,13-14,31H,2,8-12,15-16H2,(H,27,33)(H,28,32)