3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[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=CC(=C2)C#N)CC3=CC=CS3

Isomeric SMILES

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

InChI

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