(6-chloranyl-3,4-dihydro-2H-chromen-3-yl)-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-chromen-3-yl)-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]methanone Openeye Name: (6-chlorochroman-3-yl)-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl)-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone Traditional Name: (6-chlorochroman-3-yl)-[4-(4-ethylbenzoyl)piperazino]methanone Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C23H25ClN2O3/c1-2-16-3-5-17(6-4-16)22(27)25-9-11-26(12-10-25)23(28)19-13-18-14-20(24)7-8-21(18)29-15-19/h3-8,14,19H,2,9-13,15H2,1H3