methyl 1-[[1-(phenylmethyl)piperidin-4-yl]amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[[1-(phenylmethyl)piperidin-4-yl]amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-[(1-benzyl-4-piperidyl)amino]isoquinoline-4-carboxylate CAS Name: 1-[[1-(phenylmethyl)-4-piperidinyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(1-benzylpiperidin-4-yl)amino]isoquinoline-4-carboxylate Traditional Name: 1-[(1-benzyl-4-piperidyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-28-23(27)21-15-24-22(20-10-6-5-9-19(20)21)25-18-11-13-26(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,24,25)