1-(9-chloranylphenanthren-3-yl)-2-(dibutylamino)ethanone hydrochloride

Systemtic Name: 1-(9-chloranylphenanthren-3-yl)-2-(dibutylamino)ethanone hydrochloride Openeye Name: 1-(9-chloro-3-phenanthryl)-2-(dibutylamino)ethanone hydrochloride CAS Name: 1-(9-chloro-3-phenanthrenyl)-2-(dibutylamino)ethanone hydrochloride IUPAC Name: 1-(9-chlorophenanthren-3-yl)-2-(dibutylamino)ethanone hydrochloride Traditional Name: 1-(9-chloro-3-phenanthryl)-2-(dibutylamino)ethanone hydrochloride Formula: C24H29Cl2NO MolecularWeight: 418.39916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl

InChI

InChI=1S/C24H28ClNO.ClH/c1-3-5-13-26(14-6-4-2)17-24(27)19-12-11-18-16-23(25)21-10-8-7-9-20(21)22(18)15-19;/h7-12,15-16H,3-6,13-14,17H2,1-2H3;1H