3-[[4-azanyl-2-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-azanyl-2-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-amino-2-[4-(4-pyrrolidin-1-yl-1-piperidyl)anilino]thiazole-5-carbonyl]benzonitrile CAS Name: 3-[[4-amino-2-[4-[4-(1-pyrrolidinyl)-1-piperidinyl]anilino]-5-thiazolyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-amino-2-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1,3-thiazole-5-carbonyl]benzonitrile Traditional Name: 3-[4-amino-2-[4-(4-pyrrolidinopiperidino)anilino]thiazole-5-carbonyl]benzonitrile Formula: C26H28N6OS MolecularWeight: 472.60512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C3=CC=C(C=C3)NC4=NC(=C(S4)C(=O)C5=CC=CC(=C5)C#N)N

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C3=CC=C(C=C3)NC4=NC(=C(S4)C(=O)C5=CC=CC(=C5)C#N)N

InChI

InChI=1S/C26H28N6OS/c27-17-18-4-3-5-19(16-18)23(33)24-25(28)30-26(34-24)29-20-6-8-21(9-7-20)32-14-10-22(11-15-32)31-12-1-2-13-31/h3-9,16,22H,1-2,10-15,28H2,(H,29,30)