4-[[4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[4-[4-[3-(1-piperidyl)propoxy]benzoyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-(3-piperidinopropoxy)benzoyl]-1,4-diazepane-1-carbonyl]benzonitrile Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H34N4O3/c29-22-23-6-8-24(9-7-23)27(33)31-17-4-18-32(20-19-31)28(34)25-10-12-26(13-11-25)35-21-5-16-30-14-2-1-3-15-30/h6-13H,1-5,14-21H2