methyl 1-(4-phenylpiperazin-1-yl)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(4-phenylpiperazin-1-yl)isoquinoline-4-carboxylate Openeye Name: methyl 1-(4-phenylpiperazin-1-yl)isoquinoline-4-carboxylate CAS Name: 1-(4-phenyl-1-piperazinyl)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-phenylpiperazin-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-(4-phenylpiperazino)isoquinoline-4-carboxylic acid methyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2/c1-26-21(25)19-15-22-20(18-10-6-5-9-17(18)19)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3