1-(3-chloranyl-4-methoxy-phenyl)-4-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-4-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-4-[4-(1-cyclopropyl-1-methyl-ethyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3-chloro-4-methoxyphenyl)-4-[4-(2-cyclopropylpropan-2-yl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-4-[4-(2-cyclopropylpropan-2-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-4-[4-(1-cyclopropyl-1-methyl-ethyl)piperazino]butane-1,4-dione Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CC1)N2CCN(CC2)C(=O)CCC(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C1CC1)N2CCN(CC2)C(=O)CCC(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H29ClN2O3/c1-21(2,16-5-6-16)24-12-10-23(11-13-24)20(26)9-7-18(25)15-4-8-19(27-3)17(22)14-15/h4,8,14,16H,5-7,9-13H2,1-3H3