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

Systemtic Name: N-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyrimidin-2-yl]butanamide hydrochloride Openeye Name: N-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]pyrimidin-2-yl]butanamide hydrochloride CAS Name: N-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-pyrimidinyl]butanamide hydrochloride IUPAC Name: N-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyrimidin-2-yl]butanamide hydrochloride Traditional Name: N-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]pyrimidin-2-yl]butyramide hydrochloride Formula: C23H29ClN6O MolecularWeight: 440.96896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC=C(C=N1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl

Isomeric SMILES

CCCC(=O)NC1=NC=C(C=N1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl

InChI

InChI=1S/C23H28N6O.ClH/c1-3-7-21(30)27-23-24-15-18(16-25-23)20-14-17-8-5-6-9-19(17)22(26-20)29-12-10-28(4-2)11-13-29;/h5-6,8-9,14-16H,3-4,7,10-13H2,1-2H3,(H,24,25,27,30);1H