N-(pyridin-3-ylmethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-pyridylmethyl)-4-(2-thienylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-pyridinylmethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-pyridylmethyl)-4-(2-thenyl)-1,4-diazepane-1-carboxamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CN=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CN=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C17H22N4OS/c22-17(19-13-15-4-1-6-18-12-15)21-8-3-7-20(9-10-21)14-16-5-2-11-23-16/h1-2,4-6,11-12H,3,7-10,13-14H2,(H,19,22)