N2,N4-bis(2,6-dimethylphenyl)pentane-2,4-diamine; diphenylazanide; neodymium(3+); oxolane

Systemtic Name: N2,N4-bis(2,6-dimethylphenyl)pentane-2,4-diamine; diphenylazanide; neodymium(3+); oxolane Openeye Name: N2,N4-bis(2,6-dimethylphenyl)pentane-2,4-diamine; diphenylazanide; neodymium(3+); tetrahydrofuran CAS Name: N2,N4-bis(2,6-dimethylphenyl)pentane-2,4-diamine; diphenylazanide; neodymium(3+); oxolane IUPAC Name: 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diamine; diphenylazanide; neodymium(3+); oxolane Traditional Name: [3-(2,6-dimethylanilino)-1-methyl-butyl]-(2,6-dimethylphenyl)amine; diphenylazanide; neodymium(3+); tetrahydrofuran Formula: C49H58N4NdO+ MolecularWeight: 863.25102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(C)CC(C)NC2=C(C=CC=C2C)C.C1CCOC1.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Nd+3]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(C)CC(C)NC2=C(C=CC=C2C)C.C1CCOC1.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Nd+3]

InChI

InChI=1S/C21H30N2.2C12H10N.C4H8O.Nd/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;/h7-12,18-19,22-23H,13H2,1-6H3;2*1-10H;1-4H2;/q;2*-1;;+3