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

Systemtic Name: 1-(9-chloranylphenanthren-3-yl)-2-(dihexylamino)ethanone hydrochloride Openeye Name: 1-(9-chloro-3-phenanthryl)-2-(dihexylamino)ethanone hydrochloride CAS Name: 1-(9-chloro-3-phenanthrenyl)-2-(dihexylamino)ethanone hydrochloride IUPAC Name: 1-(9-chlorophenanthren-3-yl)-2-(dihexylamino)ethanone hydrochloride Traditional Name: 1-(9-chloro-3-phenanthryl)-2-(dihexylamino)ethanone hydrochloride Formula: C28H37Cl2NO MolecularWeight: 474.50548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl

Isomeric SMILES

CCCCCCN(CCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl

InChI

InChI=1S/C28H36ClNO.ClH/c1-3-5-7-11-17-30(18-12-8-6-4-2)21-28(31)23-16-15-22-20-27(29)25-14-10-9-13-24(25)26(22)19-23;/h9-10,13-16,19-20H,3-8,11-12,17-18,21H2,1-2H3;1H