N1,N4-bis(but-3-ynyl)-5H-pyridazino[4,5-b]indole-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(but-3-ynyl)-5H-pyridazino[4,5-b]indole-1,4-dicarboxamide Openeye Name: N1,N4-bis(but-3-ynyl)-5H-pyridazino[4,5-b]indole-1,4-dicarboxamide CAS Name: N1,N4-bis(but-3-ynyl)-5H-pyridazino[4,5-b]indole-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(but-3-ynyl)-5H-pyridazino[4,5-b]indole-1,4-dicarboxamide Traditional Name: N,N'-bis(but-3-ynyl)-5H-pyridazin[4,5-b]indole-1,4-dicarboxamide Formula: C20H17N5O2 MolecularWeight: 359.38128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCNC(=O)C1=NN=C(C2=C1C3=CC=CC=C3N2)C(=O)NCCC#C

Isomeric SMILES

C#CCCNC(=O)C1=NN=C(C2=C1C3=CC=CC=C3N2)C(=O)NCCC#C

InChI

InChI=1S/C20H17N5O2/c1-3-5-11-21-19(26)17-15-13-9-7-8-10-14(13)23-16(15)18(25-24-17)20(27)22-12-6-4-2/h1-2,7-10,23H,5-6,11-12H2,(H,21,26)(H,22,27)