2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-thenyl)-1,4-diazepan-1-yl]nicotinonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=CC=N2)C#N)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=CC=N2)C#N)CC3=CC=CS3

InChI

InChI=1S/C16H18N4S/c17-12-14-4-1-6-18-16(14)20-8-3-7-19(9-10-20)13-15-5-2-11-21-15/h1-2,4-6,11H,3,7-10,13H2