[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-chloro-4-isobutoxy-5-methoxy-phenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone CAS Name: [3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(2-pyrazinyl)-1-piperazinyl]methanone IUPAC Name: [3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-chloro-4-isobutoxy-5-methoxy-phenyl)-(4-pyrazin-2-ylpiperazino)methanone Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=CN=C3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=CN=C3)OC

InChI

InChI=1S/C20H25ClN4O3/c1-14(2)13-28-19-16(21)10-15(11-17(19)27-3)20(26)25-8-6-24(7-9-25)18-12-22-4-5-23-18/h4-5,10-12,14H,6-9,13H2,1-3H3