methyl 3-[1-[3-(isoquinolin-1-ylcarbonylamino)propyl]piperidin-4-yl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[1-[3-(isoquinolin-1-ylcarbonylamino)propyl]piperidin-4-yl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[1-[3-(isoquinoline-1-carbonylamino)propyl]-4-piperidyl]-1H-indole-6-carboxylate CAS Name: 3-[1-[3-[[1-isoquinolinyl(oxo)methyl]amino]propyl]-4-piperidinyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-[3-(isoquinoline-1-carbonylamino)propyl]piperidin-4-yl]-1H-indole-6-carboxylate Traditional Name: 3-[1-[3-(isoquinoline-1-carbonylamino)propyl]-4-piperidyl]-1H-indole-6-carboxylic acid methyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)C3CCN(CC3)CCCNC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)C3CCN(CC3)CCCNC(=O)C4=NC=CC5=CC=CC=C54

InChI

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