7-[[1-(5-azanylpyridin-2-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: 7-[[1-(5-azanylpyridin-2-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[[1-(5-amino-2-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[[1-(5-amino-2-pyridinyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[[1-(5-aminopyridin-2-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[[1-(5-amino-2-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=NC=C(C=C4)N

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=NC=C(C=C4)N

InChI

InChI=1S/C21H28N6O/c22-18-2-4-20(25-12-18)26-8-5-15(6-9-26)14-28-19-3-1-16-7-10-27(21(23)24)13-17(16)11-19/h1-4,11-12,15H,5-10,13-14,22H2,(H3,23,24)