N-[(1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-3-carboxamide

Systemtic Name: N-[(1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-3-carboxamide Openeye Name: N-[[1-methyl-5-(3-pyridyl)-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide CAS Name: N-[[1-methyl-5-(3-pyridinyl)-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-3-thiophenecarboxamide IUPAC Name: N-[(1-methyl-5-pyridin-3-yl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]thiophene-3-carboxamide Traditional Name: N-[[1-methyl-5-(3-pyridyl)-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN=C(C2=CC=CC=C21)C3=CN=CC=C3)CNC(=O)C4=CSC=C4

Isomeric SMILES

CN1C(CN=C(C2=CC=CC=C21)C3=CN=CC=C3)CNC(=O)C4=CSC=C4

InChI

InChI=1S/C21H20N4OS/c1-25-17(13-24-21(26)16-8-10-27-14-16)12-23-20(15-5-4-9-22-11-15)18-6-2-3-7-19(18)25/h2-11,14,17H,12-13H2,1H3,(H,24,26)