2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-butanenitrile CAS Name: 2-(1-methyl-2-benzimidazolyl)-3-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butanenitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(4-benzylpiperazino)-3-keto-2-(1-methylbenzimidazol-2-yl)butyronitrile Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O/c1-26-21-10-6-5-9-20(21)25-23(26)19(15-24)22(29)17-28-13-11-27(12-14-28)16-18-7-3-2-4-8-18/h2-10,19H,11-14,16-17H2,1H3