(E)-N-(1-adamantyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide

Systemtic Name: (E)-N-(1-adamantyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-(1-adamantyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(1-adamantyl)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(1-adamantyl)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(1-adamantyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylamide Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H31N3O/c1-4-5-26-15(2)6-20(16(26)3)10-21(14-24)22(27)25-23-11-17-7-18(12-23)9-19(8-17)13-23/h6,10,17-19H,4-5,7-9,11-13H2,1-3H3,(H,25,27)/b21-10+