N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-isopropyl-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-propan-2-yl-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-propan-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-isopropyl-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)NC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H25N5O/c1-16(2)25-22(28)19-15-24-21(18-8-4-3-7-17(18)19)27-13-11-26(12-14-27)20-9-5-6-10-23-20/h3-10,15-16H,11-14H2,1-2H3,(H,25,28)