N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]isoquinoline-3-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]isoquinoline-3-carboxamide Openeye Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]isoquinoline-3-carboxamide CAS Name: N-[3-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]isoquinoline-3-carboxamide Traditional Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazino]phenyl]isoquinoline-3-carboxamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=N3)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=N3)C#N

InChI

InChI=1S/C23H23N5O2/c24-15-19-13-20(5-6-22(19)28-9-7-27(8-10-28)11-12-29)26-23(30)21-14-17-3-1-2-4-18(17)16-25-21/h1-6,13-14,16,29H,7-12H2,(H,26,30)