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

Systemtic Name: 2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-6,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-6,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile Formula: C24H30N4O MolecularWeight: 390.5212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4CCCCC4)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4CCCCC4)C#N)C

InChI

InChI=1S/C24H30N4O/c1-17-13-20-15-21(16-25)23(26-22(20)14-18(17)2)27-9-6-10-28(12-11-27)24(29)19-7-4-3-5-8-19/h13-15,19H,3-12H2,1-2H3