[6-(oxan-4-ylmethylamino)pyridin-3-yl]-(4-phenylazepan-1-yl)methanone

Systemtic Name: [6-(oxan-4-ylmethylamino)pyridin-3-yl]-(4-phenylazepan-1-yl)methanone Openeye Name: (4-phenylazepan-1-yl)-[6-(tetrahydropyran-4-ylmethylamino)-3-pyridyl]methanone CAS Name: [6-(4-oxanylmethylamino)-3-pyridinyl]-(4-phenyl-1-azepanyl)methanone IUPAC Name: [6-(oxan-4-ylmethylamino)pyridin-3-yl]-(4-phenylazepan-1-yl)methanone Traditional Name: (4-phenylazepan-1-yl)-[6-(tetrahydropyran-4-ylmethylamino)-3-pyridyl]methanone Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=CN=C(C=C2)NCC3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCN(C1)C(=O)C2=CN=C(C=C2)NCC3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2/c28-24(27-13-4-7-21(10-14-27)20-5-2-1-3-6-20)22-8-9-23(26-18-22)25-17-19-11-15-29-16-12-19/h1-3,5-6,8-9,18-19,21H,4,7,10-17H2,(H,25,26)