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

Systemtic Name: N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]ethanamide Openeye Name: N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-3-pyridyl]acetamide CAS Name: N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinyl]acetamide IUPAC Name: N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]acetamide Traditional Name: N-[6-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-3-pyridyl]acetamide Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN=C(C=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CC(=O)NC1=CN=C(C=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C23H30N6O2/c1-16(30)27-20-3-5-22(26-13-20)28-9-6-17(7-10-28)15-31-21-4-2-18-8-11-29(23(24)25)14-19(18)12-21/h2-5,12-13,17H,6-11,14-15H2,1H3,(H3,24,25)(H,27,30)