4-[3-oxidanylidene-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile hydrochloride

Systemtic Name: 4-[3-oxidanylidene-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile hydrochloride Openeye Name: 4-[3-oxo-4-[4-[3-(1-piperidyl)propoxy]phenyl]piperazine-1-carbonyl]benzonitrile hydrochloride CAS Name: 4-[oxo-[3-oxo-4-[4-[3-(1-piperidinyl)propoxy]phenyl]-1-piperazinyl]methyl]benzonitrile hydrochloride IUPAC Name: 4-[3-oxo-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazine-1-carbonyl]benzonitrile hydrochloride Traditional Name: 4-[3-keto-4-[4-(3-piperidinopropoxy)phenyl]piperazine-1-carbonyl]benzonitrile hydrochloride Formula: C26H31ClN4O3 MolecularWeight: 483.00234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N.Cl

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N.Cl

InChI

InChI=1S/C26H30N4O3.ClH/c27-19-21-5-7-22(8-6-21)26(32)29-16-17-30(25(31)20-29)23-9-11-24(12-10-23)33-18-4-15-28-13-2-1-3-14-28;/h5-12H,1-4,13-18,20H2;1H