4-[2-[5-azanyl-3-oxidanylidene-1-(2-piperidin-1-ylethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[5-azanyl-3-oxidanylidene-1-(2-piperidin-1-ylethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[5-amino-3-oxo-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-4-yl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[5-amino-3-oxo-1-[2-(1-piperidinyl)ethyl]-2H-pyrrol-4-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[5-amino-3-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrol-4-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[2-amino-4-keto-1-(2-piperidinoethyl)-2-pyrrolin-3-yl]thiazol-4-yl]benzonitrile Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H23N5OS/c22-12-15-4-6-16(7-5-15)17-14-28-21(24-17)19-18(27)13-26(20(19)23)11-10-25-8-2-1-3-9-25/h4-7,14H,1-3,8-11,13,23H2