1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; N-propylmethanamide; hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; N-propylmethanamide; hydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; N-propylformamide; hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-phenylisoquinoline; N-propylformamide; hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-phenylisoquinoline; N-propylformamide; hydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-phenyl-isoquinoline; N-propylformamide; hydrochloride Formula: C25H33ClN4O MolecularWeight: 441.00872

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC=O.CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.Cl

Isomeric SMILES

CCCNC=O.CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H23N3.C4H9NO.ClH/c1-2-23-12-14-24(15-13-23)21-19-11-7-6-10-18(19)16-20(22-21)17-8-4-3-5-9-17;1-2-3-5-4-6;/h3-11,16H,2,12-15H2,1H3;4H,2-3H2,1H3,(H,5,6);1H