1-(9-bromanylphenanthren-3-yl)-2-(dipentylamino)propan-1-one hydrochloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dipentylamino)propan-1-one hydrochloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dipentylamino)propan-1-one hydrochloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dipentylamino)-1-propanone hydrochloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)propan-1-one hydrochloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(diamylamino)propan-1-one hydrochloride Formula: C27H35BrClNO MolecularWeight: 504.9299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(C)C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl

Isomeric SMILES

CCCCCN(CCCCC)C(C)C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl

InChI

InChI=1S/C27H34BrNO.ClH/c1-4-6-10-16-29(17-11-7-5-2)20(3)27(30)22-15-14-21-19-26(28)24-13-9-8-12-23(24)25(21)18-22;/h8-9,12-15,18-20H,4-7,10-11,16-17H2,1-3H3;1H