7-methyl-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile

Systemtic Name: 7-methyl-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Openeye Name: 7-methyl-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 7-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 7-methyl-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 7-methyl-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=CC=CS4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=CC=CS4)C#N

InChI

InChI=1S/C21H20N4OS/c1-15-5-6-16-13-17(14-22)20(23-18(16)12-15)24-7-3-8-25(10-9-24)21(26)19-4-2-11-27-19/h2,4-6,11-13H,3,7-10H2,1H3