methyl 5-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrazine-2-carboxylate

Systemtic Name: methyl 5-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrazine-2-carboxylate Openeye Name: methyl 5-[3-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]propylamino]pyrazine-2-carboxylate CAS Name: 5-[3-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]propylamino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]pyrazine-2-carboxylate Traditional Name: 5-[3-[4-(5-chloro-2-methoxy-phenyl)piperazino]propylamino]pyrazinic acid methyl ester Formula: C20H26ClN5O3 MolecularWeight: 419.90514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC3=NC=C(N=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC3=NC=C(N=C3)C(=O)OC

InChI

InChI=1S/C20H26ClN5O3/c1-28-18-5-4-15(21)12-17(18)26-10-8-25(9-11-26)7-3-6-22-19-14-23-16(13-24-19)20(27)29-2/h4-5,12-14H,3,6-11H2,1-2H3,(H,22,24)