2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrazin-2-ylpiperazino)ethyl ester Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=NC=CN=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=NC=CN=C3)Cl)N

InChI

InChI=1S/C18H22ClN5O3/c1-26-16-11-15(20)14(19)10-13(16)18(25)27-9-8-23-4-6-24(7-5-23)17-12-21-2-3-22-17/h2-3,10-12H,4-9,20H2,1H3