3-[6-[(3-oxidanylidene-2-pyridazin-3-yl-4-oxa-2-azaspiro[4.5]decan-8-yl)methylamino]pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[6-[(3-oxidanylidene-2-pyridazin-3-yl-4-oxa-2-azaspiro[4.5]decan-8-yl)methylamino]pyridin-3-yl]benzenecarbonitrile Openeye Name: 3-[6-[(3-oxo-2-pyridazin-3-yl-4-oxa-2-azaspiro[4.5]decan-8-yl)methylamino]-3-pyridyl]benzonitrile CAS Name: 3-[6-[[3-oxo-2-(3-pyridazinyl)-4-oxa-2-azaspiro[4.5]decan-8-yl]methylamino]-3-pyridinyl]benzonitrile IUPAC Name: 3-[6-[(3-oxo-2-pyridazin-3-yl-4-oxa-2-azaspiro[4.5]decan-8-yl)methylamino]pyridin-3-yl]benzonitrile Traditional Name: 3-[6-[(3-keto-2-pyridazin-3-yl-4-oxa-2-azaspiro[4.5]decan-8-yl)methylamino]-3-pyridyl]benzonitrile Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1CNC3=NC=C(C=C3)C4=CC=CC(=C4)C#N)CN(C(=O)O2)C5=NN=CC=C5

Isomeric SMILES

C1CC2(CCC1CNC3=NC=C(C=C3)C4=CC=CC(=C4)C#N)CN(C(=O)O2)C5=NN=CC=C5

InChI

InChI=1S/C25H24N6O2/c26-14-19-3-1-4-20(13-19)21-6-7-22(28-16-21)27-15-18-8-10-25(11-9-18)17-31(24(32)33-25)23-5-2-12-29-30-23/h1-7,12-13,16,18H,8-11,15,17H2,(H,27,28)