4-[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzenecarbonitrile; methanoic acid

Systemtic Name: 4-[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzenecarbonitrile; methanoic acid Openeye Name: 4-[4-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-3-oxo-piperazine-1-carbonyl]benzonitrile; formic acid CAS Name: 4-[[4-[4-[(1-cyclobutyl-4-piperidinyl)oxy]phenyl]-3-oxo-1-piperazinyl]-oxomethyl]benzonitrile; formic acid IUPAC Name: 4-[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-oxopiperazine-1-carbonyl]benzonitrile; formic acid Traditional Name: 4-[4-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-3-keto-piperazine-1-carbonyl]benzonitrile; formic acid Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)N4CCN(CC4=O)C(=O)C5=CC=C(C=C5)C#N.C(=O)O

Isomeric SMILES

C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)N4CCN(CC4=O)C(=O)C5=CC=C(C=C5)C#N.C(=O)O

InChI

InChI=1S/C27H30N4O3.CH2O2/c28-18-20-4-6-21(7-5-20)27(33)30-16-17-31(26(32)19-30)23-8-10-24(11-9-23)34-25-12-14-29(15-13-25)22-2-1-3-22;2-1-3/h4-11,22,25H,1-3,12-17,19H2;1H,(H,2,3)