1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-isopentyl-4-(4-morpholinophenyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 1-(3-methylbutyl)-4-[4-(4-morpholinyl)phenyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile Traditional Name: 1-isoamyl-2-keto-4-(4-morpholinophenyl)nicotinonitrile Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=CC(=C(C1=O)C#N)C2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)CCN1C=CC(=C(C1=O)C#N)C2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H25N3O2/c1-16(2)7-9-24-10-8-19(20(15-22)21(24)25)17-3-5-18(6-4-17)23-11-13-26-14-12-23/h3-6,8,10,16H,7,9,11-14H2,1-2H3