[2-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-pyridin-4-yl-piperidin-4-yl] ethyl carbonate

Systemtic Name: [2-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-pyridin-4-yl-piperidin-4-yl] ethyl carbonate Openeye Name: [2-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-(4-pyridyl)-4-piperidyl] ethyl carbonate CAS Name: carbonic acid [2-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-pyridin-4-yl-4-piperidinyl] ethyl ester IUPAC Name: [2-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-pyridin-4-ylpiperidin-4-yl] ethyl carbonate Traditional Name: carbonic acid [2-[2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-(4-pyridyl)-4-piperidyl] ethyl ester Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1CCN(C(C1)CCOC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)OC1CCN(C(C1)CCOC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=CC=NC=C4

InChI

InChI=1S/C25H33N5O4/c1-2-32-25(31)34-23-8-13-30(20-5-10-28-11-6-20)21(16-23)9-14-33-22-4-3-18-7-12-29(24(26)27)17-19(18)15-22/h3-6,10-11,15,21,23H,2,7-9,12-14,16-17H2,1H3,(H3,26,27)