N-[4-[10-cyano-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-2-yl]phenyl]pyridine-4-carboxamide

Systemtic Name: N-[4-[10-cyano-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-2-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[4-[10-cyano-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-2-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[4-[10-cyano-4-(4-phenethyl-1-piperazinyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-2-yl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[10-cyano-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-2-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[4-[10-cyano-4-(4-phenethylpiperazino)-6,7,8,9-tetrahydropyrimid[4,5-b]indolizin-2-yl]phenyl]isonicotinamide Formula: C35H34N8O MolecularWeight: 582.69746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=C(C3=C2C(=NC(=N3)C4=CC=C(C=C4)NC(=O)C5=CC=NC=C5)N6CCN(CC6)CCC7=CC=CC=C7)C#N)C1

Isomeric SMILES

C1CCN2C(=C(C3=C2C(=NC(=N3)C4=CC=C(C=C4)NC(=O)C5=CC=NC=C5)N6CCN(CC6)CCC7=CC=CC=C7)C#N)C1

InChI

InChI=1S/C35H34N8O/c36-24-29-30-8-4-5-18-43(30)32-31(29)39-33(26-9-11-28(12-10-26)38-35(44)27-13-16-37-17-14-27)40-34(32)42-22-20-41(21-23-42)19-15-25-6-2-1-3-7-25/h1-3,6-7,9-14,16-17H,4-5,8,15,18-23H2,(H,38,44)