methyl 3-[1-[3-(isoquinolin-1-ylcarbonylamino)propyl]piperidin-4-yl]-1H-indole-4-carboxylate

Systemtic Name: methyl 3-[1-[3-(isoquinolin-1-ylcarbonylamino)propyl]piperidin-4-yl]-1H-indole-4-carboxylate Openeye Name: methyl 3-[1-[3-(isoquinoline-1-carbonylamino)propyl]-4-piperidyl]-1H-indole-4-carboxylate CAS Name: 3-[1-[3-[[1-isoquinolinyl(oxo)methyl]amino]propyl]-4-piperidinyl]-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-[3-(isoquinoline-1-carbonylamino)propyl]piperidin-4-yl]-1H-indole-4-carboxylate Traditional Name: 3-[1-[3-(isoquinoline-1-carbonylamino)propyl]-4-piperidyl]-1H-indole-4-carboxylic acid methyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC=C2C3CCN(CC3)CCCNC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC=C2C3CCN(CC3)CCCNC(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C28H30N4O3/c1-35-28(34)22-8-4-9-24-25(22)23(18-31-24)20-11-16-32(17-12-20)15-5-13-30-27(33)26-21-7-3-2-6-19(21)10-14-29-26/h2-4,6-10,14,18,20,31H,5,11-13,15-17H2,1H3,(H,30,33)