[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(3-ethoxy-4-methoxyphenyl)methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-(3-ethoxy-4-methoxy-phenyl)methanone Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)OC

InChI

InChI=1S/C21H25ClN2O3/c1-4-27-20-13-16(6-8-19(20)26-3)21(25)24-11-9-23(10-12-24)18-14-17(22)7-5-15(18)2/h5-8,13-14H,4,9-12H2,1-3H3