methanoic acid; 4-[3-oxidanylidene-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: methanoic acid; 4-[3-oxidanylidene-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: formic acid; 4-[3-oxo-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: formic acid; 4-[oxo-[3-oxo-4-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: formic acid; 4-[3-oxo-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: formic acid; 4-[3-keto-4-[4-(3-pyrrolidinopropoxy)phenyl]piperazine-1-carbonyl]benzonitrile Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N.C(=O)O

Isomeric SMILES

C1CCN(C1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N.C(=O)O

InChI

InChI=1S/C25H28N4O3.CH2O2/c26-18-20-4-6-21(7-5-20)25(31)28-15-16-29(24(30)19-28)22-8-10-23(11-9-22)32-17-3-14-27-12-1-2-13-27;2-1-3/h4-11H,1-3,12-17,19H2;1H,(H,2,3)