4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-6-chloranyl-2-oxidanylidene-1H-quinoline-3-carbonitrile

Systemtic Name: 4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-6-chloranyl-2-oxidanylidene-1H-quinoline-3-carbonitrile Openeye Name: 4-[benzofuran-5-ylmethyl(4-piperidyl)amino]-6-chloro-2-oxo-1H-quinoline-3-carbonitrile CAS Name: 4-[5-benzofuranylmethyl(4-piperidinyl)amino]-6-chloro-2-oxo-1H-quinoline-3-carbonitrile IUPAC Name: 4-[1-benzofuran-5-ylmethyl(piperidin-4-yl)amino]-6-chloro-2-oxo-1H-quinoline-3-carbonitrile Traditional Name: 4-[benzofuran-5-ylmethyl(4-piperidyl)amino]-6-chloro-2-keto-1H-quinoline-3-carbonitrile Formula: C24H21ClN4O2 MolecularWeight: 432.90214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC3=C(C=C2)OC=C3)C4=C(C(=O)NC5=C4C=C(C=C5)Cl)C#N

Isomeric SMILES

C1CNCCC1N(CC2=CC3=C(C=C2)OC=C3)C4=C(C(=O)NC5=C4C=C(C=C5)Cl)C#N

InChI

InChI=1S/C24H21ClN4O2/c25-17-2-3-21-19(12-17)23(20(13-26)24(30)28-21)29(18-5-8-27-9-6-18)14-15-1-4-22-16(11-15)7-10-31-22/h1-4,7,10-12,18,27H,5-6,8-9,14H2,(H,28,30)