N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]-3H-benzimidazole-5-carboxamide Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=CN5)C#N

Isomeric SMILES

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=CN5)C#N

InChI

InChI=1S/C24H26N6O2/c25-15-18-13-19(28-24(31)17-1-3-21-22(14-17)27-16-26-21)2-4-23(18)30-9-7-29(8-10-30)20-5-11-32-12-6-20/h1-4,13-14,16,20H,5-12H2,(H,26,27)(H,28,31)