7,8-dimethyl-2-[4-(oxolan-2-ylcarbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile

Systemtic Name: 7,8-dimethyl-2-[4-(oxolan-2-ylcarbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Openeye Name: 7,8-dimethyl-2-[4-(tetrahydrofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 7,8-dimethyl-2-[4-[oxo(2-oxolanyl)methyl]-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 7,8-dimethyl-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 7,8-dimethyl-2-[4-(tetrahydrofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4CCCO4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4CCCO4)C#N)C

InChI

InChI=1S/C22H26N4O2/c1-15-6-7-17-13-18(14-23)21(24-20(17)16(15)2)25-8-4-9-26(11-10-25)22(27)19-5-3-12-28-19/h6-7,13,19H,3-5,8-12H2,1-2H3