N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]pyrazine-2-carboxamide

Systemtic Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]pyrazine-2-carboxamide Openeye Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]pyrazine-2-carboxamide CAS Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyrazine-2-carboxamide Traditional Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]pyrazinamide Formula: C18H16BrN5O MolecularWeight: 398.25654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=NNC(=O)C3=NC=CN=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=N/NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C18H16BrN5O/c1-12-9-14(10-22-23-18(25)17-11-20-7-8-21-17)13(2)24(12)16-5-3-15(19)4-6-16/h3-11H,1-2H3,(H,23,25)/b22-10+