N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; phosphono dihydrogen phosphate

Systemtic Name: N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; phosphono dihydrogen phosphate Openeye Name: N-(3,3-dimethylindolin-6-yl)-2-(4-pyridylmethylamino)pyridine-3-carboxamide; phosphono dihydrogen phosphate CAS Name: N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide; phosphono dihydrogen phosphate IUPAC Name: N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; phosphono dihydrogen phosphate Traditional Name: N-(3,3-dimethylindolin-6-yl)-2-(4-pyridylmethylamino)nicotinamide; phosphono dihydrogen phosphate Formula: C22H27N5O8P2 MolecularWeight: 551.426002

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C.OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C.OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C22H23N5O.H4O7P2/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15;1-8(2,3)7-9(4,5)6/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28);(H2,1,2,3)(H2,4,5,6)