[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-isoquinolin-1-yl-methanone

Systemtic Name: [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-isoquinolin-1-yl-methanone Openeye Name: [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(1-isoquinolyl)methanone CAS Name: [4-(3,5-dimethoxyphenyl)-1-piperazinyl]-(1-isoquinolinyl)methanone IUPAC Name: [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-isoquinolin-1-ylmethanone Traditional Name: [4-(3,5-dimethoxyphenyl)piperazino]-(1-isoquinolyl)methanone Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C22H23N3O3/c1-27-18-13-17(14-19(15-18)28-2)24-9-11-25(12-10-24)22(26)21-20-6-4-3-5-16(20)7-8-23-21/h3-8,13-15H,9-12H2,1-2H3