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

Systemtic Name: 1-(9-chloranylphenanthren-3-yl)-2-(diheptylamino)ethanone hydrochloride Openeye Name: 1-(9-chloro-3-phenanthryl)-2-(diheptylamino)ethanone hydrochloride CAS Name: 1-(9-chloro-3-phenanthrenyl)-2-(diheptylamino)ethanone hydrochloride IUPAC Name: 1-(9-chlorophenanthren-3-yl)-2-(diheptylamino)ethanone hydrochloride Traditional Name: 1-(9-chloro-3-phenanthryl)-2-(diheptylamino)ethanone hydrochloride Formula: C30H41Cl2NO MolecularWeight: 502.55864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl

InChI

InChI=1S/C30H40ClNO.ClH/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(33)25-18-17-24-22-29(31)27-16-12-11-15-26(27)28(24)21-25;/h11-12,15-18,21-22H,3-10,13-14,19-20,23H2,1-2H3;1H