N-azanyl-N-[3-(2-azanylethyl)-8-oxidanyl-quinolin-2-yl]methanamide; indium(3+)

Systemtic Name: N-azanyl-N-[3-(2-azanylethyl)-8-oxidanyl-quinolin-2-yl]methanamide; indium(3+) Openeye Name: N-amino-N-[3-(2-aminoethyl)-8-hydroxy-2-quinolyl]formamide; indium(3+) CAS Name: N-amino-N-[3-(2-aminoethyl)-8-hydroxy-2-quinolinyl]formamide; indium(3+) IUPAC Name: N-amino-N-[3-(2-aminoethyl)-8-hydroxyquinolin-2-yl]formamide; indium(3+) Traditional Name: N-amino-N-[3-(2-aminoethyl)-8-hydroxy-2-quinolyl]formamide; indium(3+) Formula: C36H42InN12O6+3 MolecularWeight: 853.61348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C(N=C2C(=C1)O)N(C=O)N)CCN.C1=CC2=CC(=C(N=C2C(=C1)O)N(C=O)N)CCN.C1=CC2=CC(=C(N=C2C(=C1)O)N(C=O)N)CCN.[In+3]

Isomeric SMILES

C1=CC2=CC(=C(N=C2C(=C1)O)N(C=O)N)CCN.C1=CC2=CC(=C(N=C2C(=C1)O)N(C=O)N)CCN.C1=CC2=CC(=C(N=C2C(=C1)O)N(C=O)N)CCN.[In+3]

InChI

InChI=1S/3C12H14N4O2.In/c3*13-5-4-9-6-8-2-1-3-10(18)11(8)15-12(9)16(14)7-17;/h3*1-3,6-7,18H,4-5,13-14H2;/q;;;+3