N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-3-pyridyl]benzamide CAS Name: N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinyl]benzamide IUPAC Name: N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]benzamide Traditional Name: N-[6-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-3-pyridyl]benzamide Formula: C28H32N6O2 MolecularWeight: 484.59268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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