3-(4-methylphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-(4-methylphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-(p-tolyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-(4-methylphenyl)-N-[2-[3-(1-pyrazolyl)propyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-(4-methylphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-(p-tolyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)CCCN4C=CC=N4)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC3=C(CCN(C3)CCCN4C=CC=N4)C=C2

InChI

InChI=1S/C25H30N4O/c1-20-4-6-21(7-5-20)8-11-25(30)27-24-10-9-22-12-17-28(19-23(22)18-24)14-3-16-29-15-2-13-26-29/h2,4-7,9-10,13,15,18H,3,8,11-12,14,16-17,19H2,1H3,(H,27,30)