4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)CC3=CC=CS3

InChI

InChI=1S/C18H19N3OS/c19-13-15-4-6-16(7-5-15)18(22)21-9-2-8-20(10-11-21)14-17-3-1-12-23-17/h1,3-7,12H,2,8-11,14H2