N-[(E)-[4-bromanyl-1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]pyridine-3-carboxamide

Systemtic Name: N-[(E)-[4-bromanyl-1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]pyridine-3-carboxamide Openeye Name: N-[(E)-[4-bromo-1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]pyridine-3-carboxamide CAS Name: N-[(E)-[4-bromo-1-(2,6-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[4-bromo-1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide Traditional Name: N-[(E)-[4-bromo-1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]nicotinamide Formula: C21H21BrN4O MolecularWeight: 425.32164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=C(C(=C2C)Br)C=NNC(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=C(C(=C2C)Br)/C=N/NC(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C21H21BrN4O/c1-13-7-5-8-14(2)20(13)26-15(3)18(19(22)16(26)4)12-24-25-21(27)17-9-6-10-23-11-17/h5-12H,1-4H3,(H,25,27)/b24-12+