3-methoxy-4-[3-oxidanylidene-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[3-oxidanylidene-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]carbonyl-benzenecarbonitrile Openeye Name: 3-methoxy-4-[3-oxo-4-[4-[3-(1-piperidyl)propoxy]phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-methoxy-4-[oxo-[3-oxo-4-[4-[3-(1-piperidinyl)propoxy]phenyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-methoxy-4-[3-oxo-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[3-keto-4-[4-(3-piperidinopropoxy)phenyl]piperazine-1-carbonyl]-3-methoxy-benzonitrile Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OCCCN4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)C(=O)N2CCN(C(=O)C2)C3=CC=C(C=C3)OCCCN4CCCCC4

InChI

InChI=1S/C27H32N4O4/c1-34-25-18-21(19-28)6-11-24(25)27(33)30-15-16-31(26(32)20-30)22-7-9-23(10-8-22)35-17-5-14-29-12-3-2-4-13-29/h6-11,18H,2-5,12-17,20H2,1H3