2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(m-tolylmethyl)piperazin-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[4-(3-methylbenzyl)piperazino]butyronitrile Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C25H29N5O/c1-19-7-6-8-20(15-19)17-29-11-13-30(14-12-29)18-24(31)21(16-26)25-27(2)22-9-4-5-10-23(22)28(25)3/h4-10,15H,11-14,17-18H2,1-3H3