3-[butyl-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]amino]propanenitrile

Systemtic Name: 3-[butyl-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]amino]propanenitrile Openeye Name: 3-[[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-butyl-amino]propanenitrile CAS Name: 3-[[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-butylamino]propanenitrile IUPAC Name: 3-[[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-butylamino]propanenitrile Traditional Name: 3-[[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]-butyl-amino]propionitrile Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC#N)C1=C(C=C2C(=C1)N(C(=O)N2)CC3CCCCC3)NC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCC#N)C1=C(C=C2C(=C1)N(C(=O)N2)CC3CCCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O/c1-2-3-16-31(17-10-15-28)25-19-26-24(18-23(25)29-22-13-8-5-9-14-22)30-27(33)32(26)20-21-11-6-4-7-12-21/h5,8-9,13-14,18-19,21,29H,2-4,6-7,10-12,16-17,20H2,1H3,(H,30,33)