cyclopentane; (E)-4-(3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)pent-3-en-2-one; iron(2+)

Systemtic Name: cyclopentane; (E)-4-(3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)pent-3-en-2-one; iron(2+) Openeye Name: ferrous; cyclopentane; (E)-4-(3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)pent-3-en-2-one CAS Name: cyclopentane; (E)-4-(3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)-3-penten-2-one; iron(2+) IUPAC Name: cyclopentane; (E)-4-(3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)pent-3-en-2-one; iron(2+) Traditional Name: ferrous; cyclopentane; (E)-4-(3-cyclopentyl-6-methoxy-3,3a,4,5-tetrahydrobenz[g]indazol-2-yl)pent-3-en-2-one Formula: C27H28FeN2O2+2 MolecularWeight: 468.36842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)N1C(C2CCC3=C(C2=N1)C=CC=C3OC)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C/C(=C\C(=O)C)/N1C(C2CCC3=C(C2=N1)C=CC=C3OC)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H23N2O2.C5H5.Fe/c1-14(13-15(2)25)24-22(16-7-4-5-8-16)19-12-11-17-18(21(19)23-24)9-6-10-20(17)26-3;1-2-4-5-3-1;/h4-10,13,19,22H,11-12H2,1-3H3;1-5H;/q;;+2/b14-13+;;