[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone

Systemtic Name: [4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone Openeye Name: [4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-[5-(2-pyridyl)-2-thienyl]methanone CAS Name: [4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]-[5-(2-pyridinyl)-2-thiophenyl]methanone IUPAC Name: [4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone Traditional Name: [4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-[5-(2-pyridyl)-2-thienyl]methanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(S2)C3=CC=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(S2)C3=CC=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C21H22N4OS/c26-21(20-9-8-19(27-20)18-7-2-4-11-23-18)25-13-5-12-24(14-15-25)16-17-6-1-3-10-22-17/h1-4,6-11H,5,12-16H2