6-[3,5-bis[4-cyano-5-methoxy-6-(pyridin-2-ylmethylamino)pyridin-2-yl]cyclohexyl]-3-methoxy-2-(pyridin-2-ylmethylamino)pyridine-4-carbonitrile

Systemtic Name: 6-[3,5-bis[4-cyano-5-methoxy-6-(pyridin-2-ylmethylamino)pyridin-2-yl]cyclohexyl]-3-methoxy-2-(pyridin-2-ylmethylamino)pyridine-4-carbonitrile Openeye Name: 6-[3,5-bis[4-cyano-5-methoxy-6-(2-pyridylmethylamino)-2-pyridyl]cyclohexyl]-3-methoxy-2-(2-pyridylmethylamino)pyridine-4-carbonitrile CAS Name: 6-[3,5-bis[4-cyano-5-methoxy-6-(2-pyridinylmethylamino)-2-pyridinyl]cyclohexyl]-3-methoxy-2-(2-pyridinylmethylamino)-4-pyridinecarbonitrile IUPAC Name: 6-[3,5-bis[4-cyano-5-methoxy-6-(pyridin-2-ylmethylamino)pyridin-2-yl]cyclohexyl]-3-methoxy-2-(pyridin-2-ylmethylamino)pyridine-4-carbonitrile Traditional Name: 6-[3,5-bis[4-cyano-5-methoxy-6-(2-pyridylmethylamino)-2-pyridyl]cyclohexyl]-3-methoxy-2-(2-pyridylmethylamino)isonicotinonitrile Formula: C45H42N12O3 MolecularWeight: 798.89358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C=C1C#N)C2CC(CC(C2)C3=NC(=C(C(=C3)C#N)OC)NCC4=CC=CC=N4)C5=NC(=C(C(=C5)C#N)OC)NCC6=CC=CC=N6)NCC7=CC=CC=N7

Isomeric SMILES

COC1=C(N=C(C=C1C#N)C2CC(CC(C2)C3=NC(=C(C(=C3)C#N)OC)NCC4=CC=CC=N4)C5=NC(=C(C(=C5)C#N)OC)NCC6=CC=CC=N6)NCC7=CC=CC=N7

InChI

InChI=1S/C45H42N12O3/c1-58-40-31(22-46)19-37(55-43(40)52-25-34-10-4-7-13-49-34)28-16-29(38-20-32(23-47)41(59-2)44(56-38)53-26-35-11-5-8-14-50-35)18-30(17-28)39-21-33(24-48)42(60-3)45(57-39)54-27-36-12-6-9-15-51-36/h4-15,19-21,28-30H,16-18,25-27H2,1-3H3,(H,52,55)(H,53,56)(H,54,57)