7-methyl-2-(4-pyrazin-2-ylcarbonyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile

Systemtic Name: 7-methyl-2-(4-pyrazin-2-ylcarbonyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Openeye Name: 7-methyl-2-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 7-methyl-2-[4-[oxo(2-pyrazinyl)methyl]-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 7-methyl-2-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 7-methyl-2-(4-pyrazinoyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=NC=CN=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=NC=CN=C4)C#N

InChI

InChI=1S/C21H20N6O/c1-15-3-4-16-12-17(13-22)20(25-18(16)11-15)26-7-2-8-27(10-9-26)21(28)19-14-23-5-6-24-19/h3-6,11-12,14H,2,7-10H2,1H3