6-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(N3C4CC4)N5CCCCC5

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(N3C4CC4)N5CCCCC5

InChI

InChI=1S/C21H25N5O3S/c1-13(19(28)14-5-8-17-16(11-14)22-18(27)12-29-17)30-21-24-23-20(26(21)15-6-7-15)25-9-3-2-4-10-25/h5,8,11,13,15H,2-4,6-7,9-10,12H2,1H3,(H,22,27)