actinium; [6-methyl-3-[5-(methylamino)-4-oxidanyl-6-phenyl-3-(phenylmethyl)hexanoyl]-5-oxidanylidene-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-6-yl]azanide

Systemtic Name: actinium; [6-methyl-3-[5-(methylamino)-4-oxidanyl-6-phenyl-3-(phenylmethyl)hexanoyl]-5-oxidanylidene-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-6-yl]azanide Openeye Name: actinium; [3-[3-benzyl-4-hydroxy-5-(methylamino)-6-phenyl-hexanoyl]-6-methyl-5-oxo-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-6-yl]azanide CAS Name: actinium; [3-[4-hydroxy-5-(methylamino)-1-oxo-6-phenyl-3-(phenylmethyl)hexyl]-6-methyl-5-oxo-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-6-yl]azanide IUPAC Name: actinium; [3-[3-benzyl-4-hydroxy-5-(methylamino)-6-phenylhexanoyl]-6-methyl-5-oxo-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-6-yl]azanide Traditional Name: actinium; [3-[3-benzyl-4-hydroxy-5-(methylamino)-6-phenyl-hexanoyl]-5-keto-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-6-yl]azanide Formula: C27H35AcN4O3- MolecularWeight: 690.619547

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN2CCC(N2C1=O)C(=O)CC(CC3=CC=CC=C3)C(C(CC4=CC=CC=C4)NC)O)[NH-].[Ac]

Isomeric SMILES

CC1(CN2CCC(N2C1=O)C(=O)CC(CC3=CC=CC=C3)C(C(CC4=CC=CC=C4)NC)O)[NH-].[Ac]

InChI

InChI=1S/C27H35N4O3.Ac/c1-27(28)18-30-14-13-23(31(30)26(27)34)24(32)17-21(15-19-9-5-3-6-10-19)25(33)22(29-2)16-20-11-7-4-8-12-20;/h3-12,21-23,25,28-29,33H,13-18H2,1-2H3;/q-1;