N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-pyrrol-1-yl-benzamide

Systemtic Name: N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-pyrrol-1-yl-benzamide Openeye Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-pyrrol-1-yl-benzamide CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-(1-pyrrolyl)benzamide IUPAC Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-pyrrol-1-ylbenzamide Traditional Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-pyrrol-1-yl-benzamide Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3=CC=CC=C3N4C=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3=CC=CC=C3N4C=CC=C4)O)C

InChI

InChI=1S/C23H21N3O3/c1-23(2)21(27)20(17-13-15(14-24)9-10-19(17)29-23)25-22(28)16-7-3-4-8-18(16)26-11-5-6-12-26/h3-13,20-21,27H,1-2H3,(H,25,28)