N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]pyridine-3-carboxamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]pyridine-3-carboxamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(isopentylamino)-2-oxo-ethylidene]isoindol-1-yl]pyridine-3-carboxamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]-1-isoindolyl]-3-pyridinecarboxamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]pyridine-3-carboxamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(isoamylamino)-2-keto-ethylidene]isoindol-1-yl]nicotinamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CN=CC=C3)C#N

Isomeric SMILES

CC(C)CCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CN=CC=C3)/C#N

InChI

InChI=1S/C22H21N5O2/c1-14(2)9-11-25-22(29)18(12-23)19-16-7-3-4-8-17(16)20(26-19)27-21(28)15-6-5-10-24-13-15/h3-8,10,13-14H,9,11H2,1-2H3,(H,25,29)(H,26,27,28)/b19-18-