[2-(dimethylamino)pyridin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [2-(dimethylamino)pyridin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [2-(dimethylamino)-4-pyridyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(dimethylamino)-4-pyridinyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [2-(dimethylamino)pyridin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [2-(dimethylamino)-4-pyridyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CN(C)C1=NC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H24N4OS/c1-20(2)17-13-15(6-7-19-17)18(23)22-9-4-8-21(10-11-22)14-16-5-3-12-24-16/h3,5-7,12-13H,4,8-11,14H2,1-2H3