2-[[4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 2-[4-[4-[3-(1-piperidyl)propoxy]benzoyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 2-[oxo-[4-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 2-[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=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCCN(CC3)C(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H34N4O3/c29-22-24-8-2-3-9-26(24)28(34)32-18-6-17-31(19-20-32)27(33)23-10-12-25(13-11-23)35-21-7-16-30-14-4-1-5-15-30/h2-3,8-13H,1,4-7,14-21H2