[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [(3S)-6-chlorochroman-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [(3S)-6-chlorochroman-3-yl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H23ClN2O3/c1-26-19-5-3-18(4-6-19)23-8-10-24(11-9-23)21(25)16-12-15-13-17(22)2-7-20(15)27-14-16/h2-7,13,16H,8-12,14H2,1H3/t16-/m0/s1