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

Systemtic Name: 3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-yl-benzamide Openeye Name: 3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-2-(3-pyridyl)benzamide CAS Name: 3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-2-(3-pyridinyl)benzamide IUPAC Name: 3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-ylbenzamide Traditional Name: 3-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-2-(3-pyridyl)benzamide Formula: C28H32N6O2 MolecularWeight: 484.59268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=CC=CC(=C4C5=CN=CC=C5)C(=O)N

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=CC=CC(=C4C5=CN=CC=C5)C(=O)N

InChI

InChI=1S/C28H32N6O2/c29-27(35)24-4-1-5-25(26(24)21-3-2-11-32-16-21)33-12-8-19(9-13-33)18-36-23-7-6-20-10-14-34(28(30)31)17-22(20)15-23/h1-7,11,15-16,19H,8-10,12-14,17-18H2,(H2,29,35)(H3,30,31)