N-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]butanamide

Systemtic Name: N-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]butanamide Openeye Name: N-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-pyridyl]butanamide CAS Name: N-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-pyridinyl]butanamide IUPAC Name: N-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]butanamide Traditional Name: N-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-pyridyl]butyramide Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCC(=O)NC1=NC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

InChI=1S/C24H29N5O/c1-3-7-23(30)27-22-11-10-19(17-25-22)21-16-18-8-5-6-9-20(18)24(26-21)29-14-12-28(4-2)13-15-29/h5-6,8-11,16-17H,3-4,7,12-15H2,1-2H3,(H,25,27,30)