N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]butanamide hydrochloride

Systemtic Name: N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]butanamide hydrochloride Openeye Name: N-[[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]methyl]butanamide hydrochloride CAS Name: N-[[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]methyl]butanamide hydrochloride IUPAC Name: N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]butanamide hydrochloride Traditional Name: N-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzyl]butyramide hydrochloride Formula: C26H33ClN4O MolecularWeight: 453.01942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl

Isomeric SMILES

CCCC(=O)NCC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl

InChI

InChI=1S/C26H32N4O.ClH/c1-3-7-25(31)27-19-20-10-12-21(13-11-20)24-18-22-8-5-6-9-23(22)26(28-24)30-16-14-29(4-2)15-17-30;/h5-6,8-13,18H,3-4,7,14-17,19H2,1-2H3,(H,27,31);1H