2-[4-(furan-2-ylcarbonyl)-1,4-diazepan-1-yl]-6,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)-1,4-diazepan-1-yl]-6,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-6,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1,4-diazepan-1-yl]-6,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-6,8-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(2-furoyl)-1,4-diazepan-1-yl]-6,8-dimethyl-quinoline-3-carbonitrile Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=CC=CO4)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=CC=CO4)C#N)C

InChI

InChI=1S/C22H22N4O2/c1-15-11-16(2)20-17(12-15)13-18(14-23)21(24-20)25-6-4-7-26(9-8-25)22(27)19-5-3-10-28-19/h3,5,10-13H,4,6-9H2,1-2H3