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

Systemtic Name: 4-[4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-oxidanylidene-piperazin-1-yl]carbonylbenzenecarbonitrile; methanoic acid Openeye Name: 4-[4-[4-[(1-cyclopentyl-4-piperidyl)oxy]phenyl]-3-oxo-piperazine-1-carbonyl]benzonitrile; formic acid CAS Name: 4-[[4-[4-[(1-cyclopentyl-4-piperidinyl)oxy]phenyl]-3-oxo-1-piperazinyl]-oxomethyl]benzonitrile; formic acid IUPAC Name: 4-[4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-oxopiperazine-1-carbonyl]benzonitrile; formic acid Traditional Name: 4-[4-[4-[(1-cyclopentyl-4-piperidyl)oxy]phenyl]-3-keto-piperazine-1-carbonyl]benzonitrile; formic acid Formula: C29H34N4O5 MolecularWeight: 518.60406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(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

C1CCC(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/C28H32N4O3.CH2O2/c29-19-21-5-7-22(8-6-21)28(34)31-17-18-32(27(33)20-31)24-9-11-25(12-10-24)35-26-13-15-30(16-14-26)23-3-1-2-4-23;2-1-3/h5-12,23,26H,1-4,13-18,20H2;1H,(H,2,3)