4-(imidazol-1-ylmethyl)-2-[2-(3-methyl-2-oxidanylidene-piperidin-1-yl)phenoxy]benzenecarbonitrile

Systemtic Name: 4-(imidazol-1-ylmethyl)-2-[2-(3-methyl-2-oxidanylidene-piperidin-1-yl)phenoxy]benzenecarbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-2-[2-(3-methyl-2-oxo-1-piperidyl)phenoxy]benzonitrile CAS Name: 4-(1-imidazolylmethyl)-2-[2-(3-methyl-2-oxo-1-piperidinyl)phenoxy]benzonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-2-[2-(3-methyl-2-oxopiperidin-1-yl)phenoxy]benzonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-2-[2-(2-keto-3-methyl-piperidino)phenoxy]benzonitrile Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1=O)C2=CC=CC=C2OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

Isomeric SMILES

CC1CCCN(C1=O)C2=CC=CC=C2OC3=C(C=CC(=C3)CN4C=CN=C4)C#N

InChI

InChI=1S/C23H22N4O2/c1-17-5-4-11-27(23(17)28)20-6-2-3-7-21(20)29-22-13-18(8-9-19(22)14-24)15-26-12-10-25-16-26/h2-3,6-10,12-13,16-17H,4-5,11,15H2,1H3