5-(azepan-1-yl)-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile

Systemtic Name: 5-(azepan-1-yl)-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile Openeye Name: 5-(azepan-1-yl)-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile CAS Name: 5-(1-azepanyl)-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile IUPAC Name: 5-(azepan-1-yl)-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile Traditional Name: 5-(azepan-1-yl)-6-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]pyrazine-2,3-dicarbonitrile Formula: C21H18N8 MolecularWeight: 382.42122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=C(N=C2C(=C3NC4=CC=CC=C4N3)C#N)C#N)C#N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=C(N=C2C(=C3NC4=CC=CC=C4N3)C#N)C#N)C#N

InChI

InChI=1S/C21H18N8/c22-11-14(20-26-15-7-3-4-8-16(15)27-20)19-21(29-9-5-1-2-6-10-29)28-18(13-24)17(12-23)25-19/h3-4,7-8,26-27H,1-2,5-6,9-10H2