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

Systemtic Name: 1-(9-chloranylphenanthren-3-yl)-2-(dihexylamino)ethanone Openeye Name: 1-(9-chloro-3-phenanthryl)-2-(dihexylamino)ethanone CAS Name: 1-(9-chloro-3-phenanthrenyl)-2-(dihexylamino)ethanone IUPAC Name: 1-(9-chlorophenanthren-3-yl)-2-(dihexylamino)ethanone Traditional Name: 1-(9-chloro-3-phenanthryl)-2-(dihexylamino)ethanone Formula: C28H36ClNO MolecularWeight: 438.04454

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H36ClNO/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