2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-4-[4-(diphenylmethyl)-1-piperazinyl]-3-oxobutanenitrile IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 4-(4-benzhydrylpiperazino)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-keto-butyronitrile Formula: C30H27BrN4OS MolecularWeight: 571.53058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H27BrN4OS/c31-25-13-11-22(12-14-25)27-21-37-30(33-27)26(19-32)28(36)20-34-15-17-35(18-16-34)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,29H,15-18,20H2