N'-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-pentyl-ethane-1,2-diamine

Systemtic Name: N'-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-pentyl-ethane-1,2-diamine Openeye Name: N'-[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-pentyl-ethane-1,2-diamine CAS Name: N'-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-pentylethane-1,2-diamine IUPAC Name: N'-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-N-pentylethane-1,2-diamine Traditional Name: [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl-[2-(amylamino)ethyl]amine Formula: C27H46N2 MolecularWeight: 398.66754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCCNCC1(CCCC2(C1CCC3=C2C=CC(=C3)C(C)C)C)C

Isomeric SMILES

CCCCCNCCNC[C@@]1(CCC[C@]2([C@H]1CCC3=C2C=CC(=C3)C(C)C)C)C

InChI

InChI=1S/C27H46N2/c1-6-7-8-16-28-17-18-29-20-26(4)14-9-15-27(5)24-12-10-22(21(2)3)19-23(24)11-13-25(26)27/h10,12,19,21,25,28-29H,6-9,11,13-18,20H2,1-5H3/t25-,26-,27+/m0/s1