4-[(3-methylimidazol-4-yl)methyl-[2-(oxan-4-ylmethylamino)ethyl]amino]benzenecarbonitrile

Systemtic Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(oxan-4-ylmethylamino)ethyl]amino]benzenecarbonitrile Openeye Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(tetrahydropyran-4-ylmethylamino)ethyl]amino]benzonitrile CAS Name: 4-[(3-methyl-4-imidazolyl)methyl-[2-(4-oxanylmethylamino)ethyl]amino]benzonitrile IUPAC Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(oxan-4-ylmethylamino)ethyl]amino]benzonitrile Traditional Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(tetrahydropyran-4-ylmethylamino)ethyl]amino]benzonitrile Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN(CCNCC2CCOCC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C=NC=C1CN(CCNCC2CCOCC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N5O/c1-24-16-23-14-20(24)15-25(19-4-2-17(12-21)3-5-19)9-8-22-13-18-6-10-26-11-7-18/h2-5,14,16,18,22H,6-11,13,15H2,1H3