6-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-[3-(1-piperidyl)propoxy]benzoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-(3-piperidinopropoxy)benzoyl]-1,4-diazepan-1-yl]nicotinonitrile Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2/c27-20-22-6-11-25(28-21-22)30-15-4-16-31(18-17-30)26(32)23-7-9-24(10-8-23)33-19-5-14-29-12-2-1-3-13-29/h6-11,21H,1-5,12-19H2