2-azanyl-4-(azepan-1-yl)-6-(6-morpholin-4-ylpyridin-3-yl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(azepan-1-yl)-6-(6-morpholin-4-ylpyridin-3-yl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(azepan-1-yl)-6-(6-morpholino-3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(1-azepanyl)-6-[6-(4-morpholinyl)-3-pyridinyl]-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(azepan-1-yl)-6-(6-morpholin-4-ylpyridin-3-yl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(azepan-1-yl)-6-(6-morpholino-3-pyridyl)nicotinonitrile Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC(=C2C#N)N)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC(=C2C#N)N)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H26N6O/c22-14-17-19(26-7-3-1-2-4-8-26)13-18(25-21(17)23)16-5-6-20(24-15-16)27-9-11-28-12-10-27/h5-6,13,15H,1-4,7-12H2,(H2,23,25)