N-[4-[3-phenylazanyl-5-(pyridin-3-ylmethylamino)phenyl]pyridin-2-yl]oxane-4-carboxamide

Systemtic Name: N-[4-[3-phenylazanyl-5-(pyridin-3-ylmethylamino)phenyl]pyridin-2-yl]oxane-4-carboxamide Openeye Name: N-[4-[3-anilino-5-(3-pyridylmethylamino)phenyl]-2-pyridyl]tetrahydropyran-4-carboxamide CAS Name: N-[4-[3-anilino-5-(3-pyridinylmethylamino)phenyl]-2-pyridinyl]-4-oxanecarboxamide IUPAC Name: N-[4-[3-anilino-5-(pyridin-3-ylmethylamino)phenyl]pyridin-2-yl]oxane-4-carboxamide Traditional Name: N-[4-[3-anilino-5-(3-pyridylmethylamino)phenyl]-2-pyridyl]tetrahydropyran-4-carboxamide Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)NC2=NC=CC(=C2)C3=CC(=CC(=C3)NCC4=CN=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1COCCC1C(=O)NC2=NC=CC(=C2)C3=CC(=CC(=C3)NCC4=CN=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2/c35-29(22-9-13-36-14-10-22)34-28-17-23(8-12-31-28)24-15-26(32-20-21-5-4-11-30-19-21)18-27(16-24)33-25-6-2-1-3-7-25/h1-8,11-12,15-19,22,32-33H,9-10,13-14,20H2,(H,31,34,35)