1,3-dimethyl-10-(3-piperidin-1-ylpropanoyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 1,3-dimethyl-10-(3-piperidin-1-ylpropanoyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 1,3-dimethyl-10-[3-(1-piperidyl)propanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 1,3-dimethyl-10-[1-oxo-3-(1-piperidinyl)propyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 1,3-dimethyl-10-(3-piperidin-1-ylpropanoyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 1,3-dimethyl-10-(3-piperidinopropanoyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(S1)C)N(C3=CC=CC=C3NC2=O)C(=O)CCN4CCCCC4

Isomeric SMILES

CC1=C2C(=C(S1)C)N(C3=CC=CC=C3NC2=O)C(=O)CCN4CCCCC4

InChI

InChI=1S/C21H25N3O2S/c1-14-19-20(15(2)27-14)24(17-9-5-4-8-16(17)22-21(19)26)18(25)10-13-23-11-6-3-7-12-23/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,22,26)