6,7-dimethyl-2-(4-pyrazin-2-ylcarbonyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethyl-2-(4-pyrazin-2-ylcarbonyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Openeye Name: 6,7-dimethyl-2-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 6,7-dimethyl-2-[4-[oxo(2-pyrazinyl)methyl]-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethyl-2-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 6,7-dimethyl-2-(4-pyrazinoyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=NC=CN=C4)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=NC=CN=C4)C#N)C

InChI

InChI=1S/C22H22N6O/c1-15-10-17-12-18(13-23)21(26-19(17)11-16(15)2)27-6-3-7-28(9-8-27)22(29)20-14-24-4-5-25-20/h4-5,10-12,14H,3,6-9H2,1-2H3