2-[2-[4-(2-azanyl-3-phenyl-propanoyl)piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-yl-butanenitrile

Systemtic Name: 2-[2-[4-(2-azanyl-3-phenyl-propanoyl)piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-yl-butanenitrile Openeye Name: 2-[2-[4-(2-amino-3-phenyl-propanoyl)piperazin-1-yl]ethyl]-3-methyl-2-(2-thienyl)butanenitrile CAS Name: 2-[2-[4-(2-amino-1-oxo-3-phenylpropyl)-1-piperazinyl]ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile IUPAC Name: 2-[2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile Traditional Name: 3-methyl-2-[2-(4-phenylalanylpiperazino)ethyl]-2-(2-thienyl)butyronitrile Formula: C24H32N4OS MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N)(C#N)C3=CC=CS3

InChI

InChI=1S/C24H32N4OS/c1-19(2)24(18-25,22-9-6-16-30-22)10-11-27-12-14-28(15-13-27)23(29)21(26)17-20-7-4-3-5-8-20/h3-9,16,19,21H,10-15,17,26H2,1-2H3