2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-8-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-8-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-8-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4CCCCC4

InChI

InChI=1S/C23H28N4O/c1-17-7-5-10-19-15-20(16-24)22(25-21(17)19)26-11-6-12-27(14-13-26)23(28)18-8-3-2-4-9-18/h5,7,10,15,18H,2-4,6,8-9,11-14H2,1H3