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

Systemtic Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(pyridin-3-ylcarbamoyl)piperidin-4-yl] ethyl carbonate Openeye Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(3-pyridylcarbamoyl)-4-piperidyl] ethyl carbonate CAS Name: carbonic acid [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-[oxo-(3-pyridinylamino)methyl]-4-piperidinyl] ethyl ester IUPAC Name: [4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(pyridin-3-ylcarbamoyl)piperidin-4-yl] ethyl carbonate Traditional Name: carbonic acid [4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(3-pyridylcarbamoyl)-4-piperidyl] ethyl ester Formula: C25H32N6O5 MolecularWeight: 496.55878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1(CCN(CC1)C(=O)NC2=CN=CC=C2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CCOC(=O)OC1(CCN(CC1)C(=O)NC2=CN=CC=C2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C25H32N6O5/c1-2-34-24(33)36-25(8-12-30(13-9-25)23(32)29-20-4-3-10-28-15-20)17-35-21-6-5-18-7-11-31(22(26)27)16-19(18)14-21/h3-6,10,14-15H,2,7-9,11-13,16-17H2,1H3,(H3,26,27)(H,29,32)