3-methoxy-N-[2-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-methoxy-N-[2-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-methoxy-N-[2-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-methoxy-N-[2-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-methoxy-N-[2-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-methoxy-N-[2-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)CC3=CC=CN3C4=NC=CC=N4)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)CC3=CC=CN3C4=NC=CC=N4)C=C1

InChI

InChI=1S/C22H25N5O2/c1-29-13-8-21(28)25-19-6-5-17-7-12-26(15-18(17)14-19)16-20-4-2-11-27(20)22-23-9-3-10-24-22/h2-6,9-11,14H,7-8,12-13,15-16H2,1H3,(H,25,28)