2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-yl-ethanamide

Systemtic Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-yl-ethanamide Openeye Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-2-(3-pyridyl)acetamide CAS Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-2-(3-pyridinyl)acetamide IUPAC Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-ylacetamide Traditional Name: 2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-2-(3-pyridyl)acetamide Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C(C4=CN=CC=C4)C(=O)N

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C(C4=CN=CC=C4)C(=O)N

InChI

InChI=1S/C23H30N6O2/c24-22(30)21(18-2-1-8-27-13-18)28-9-5-16(6-10-28)15-31-20-4-3-17-7-11-29(23(25)26)14-19(17)12-20/h1-4,8,12-13,16,21H,5-7,9-11,14-15H2,(H2,24,30)(H3,25,26)