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

Systemtic Name: 2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-8-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-8-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile Formula: C20H22N4O MolecularWeight: 334.41488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C20H22N4O/c1-14-4-2-5-16-12-17(13-21)19(22-18(14)16)23-8-3-9-24(11-10-23)20(25)15-6-7-15/h2,4-5,12,15H,3,6-11H2,1H3