6,7-dimethyl-2-[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethyl-2-[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Openeye Name: 6,7-dimethyl-2-[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 6,7-dimethyl-2-[4-(1-oxo-2-thiophen-2-ylethyl)-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethyl-2-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 6,7-dimethyl-2-[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]quinoline-3-carbonitrile Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)CC4=CC=CS4)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)CC4=CC=CS4)C#N)C

InChI

InChI=1S/C23H24N4OS/c1-16-11-18-13-19(15-24)23(25-21(18)12-17(16)2)27-7-4-6-26(8-9-27)22(28)14-20-5-3-10-29-20/h3,5,10-13H,4,6-9,14H2,1-2H3