1-(9-chloranylphenanthren-3-yl)-3-(dihexylamino)propan-1-one hydrochloride

Systemtic Name: 1-(9-chloranylphenanthren-3-yl)-3-(dihexylamino)propan-1-one hydrochloride Openeye Name: 1-(9-chloro-3-phenanthryl)-3-(dihexylamino)propan-1-one hydrochloride CAS Name: 1-(9-chloro-3-phenanthrenyl)-3-(dihexylamino)-1-propanone hydrochloride IUPAC Name: 1-(9-chlorophenanthren-3-yl)-3-(dihexylamino)propan-1-one hydrochloride Traditional Name: 1-(9-chloro-3-phenanthryl)-3-(dihexylamino)propan-1-one hydrochloride Formula: C29H39Cl2NO MolecularWeight: 488.53206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38ClNO.ClH/c1-3-5-7-11-18-31(19-12-8-6-4-2)20-17-29(32)24-16-15-23-22-28(30)26-14-10-9-13-25(26)27(23)21-24;/h9-10,13-16,21-22H,3-8,11-12,17-20H2,1-2H3;1H