3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile

Systemtic Name: 3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile Openeye Name: 3-[4-[3-(1-piperidyl)propoxy]benzoyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile CAS Name: 3-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile IUPAC Name: 3-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile Traditional Name: 3-[4-(3-piperidinopropoxy)benzoyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCC4=C(CC3)C=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCC4=C(CC3)C=C(C=C4)C#N

InChI

InChI=1S/C26H31N3O2/c27-20-21-5-6-22-11-16-29(17-12-24(22)19-21)26(30)23-7-9-25(10-8-23)31-18-4-15-28-13-2-1-3-14-28/h5-10,19H,1-4,11-18H2