methyl 3-oxidanyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[(4-pyrazin-2-ylpiperazino)methyl]naphthalene-2-carboxylic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)CN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)CN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C21H22N4O3/c1-28-21(27)17-12-15-4-2-3-5-16(15)18(20(17)26)14-24-8-10-25(11-9-24)19-13-22-6-7-23-19/h2-7,12-13,26H,8-11,14H2,1H3