(E)-2-cyano-3-[3-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]phenyl]-N-propan-2-yl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]phenyl]-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]phenyl]-N-isopropyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl]-N-propan-2-yl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl]-N-propan-2-ylprop-2-enamide Traditional Name: (E)-2-cyano-3-[3-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]phenyl]-N-isopropyl-acrylamide Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=CC=C1)C=C(C#N)C(=O)NC(C)C)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CC(=CC=C1)/C=C(\C#N)/C(=O)NC(C)C)/C#N

InChI

InChI=1S/C20H22N4O2/c1-13(2)23-19(25)17(11-21)9-15-6-5-7-16(8-15)10-18(12-22)20(26)24-14(3)4/h5-10,13-14H,1-4H3,(H,23,25)(H,24,26)/b17-9+,18-10+