methyl 1-(4-piperidin-1-ylpiperidin-1-yl)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(4-piperidin-1-ylpiperidin-1-yl)isoquinoline-4-carboxylate Openeye Name: methyl 1-[4-(1-piperidyl)-1-piperidyl]isoquinoline-4-carboxylate CAS Name: 1-[4-(1-piperidinyl)-1-piperidinyl]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-piperidin-1-ylpiperidin-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-(4-piperidinopiperidino)isoquinoline-4-carboxylic acid methyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C21H27N3O2/c1-26-21(25)19-15-22-20(18-8-4-3-7-17(18)19)24-13-9-16(10-14-24)23-11-5-2-6-12-23/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3