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

Systemtic Name: methyl 1-[4-(phenylmethyl)piperazin-1-yl]isoquinoline-4-carboxylate Openeye Name: methyl 1-(4-benzylpiperazin-1-yl)isoquinoline-4-carboxylate CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-benzylpiperazin-1-yl)isoquinoline-4-carboxylate Traditional Name: 1-(4-benzylpiperazino)isoquinoline-4-carboxylic acid methyl ester Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-27-22(26)20-15-23-21(19-10-6-5-9-18(19)20)25-13-11-24(12-14-25)16-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3