4-butan-2-yl-2-(dimethylamino)-5-(1-phenylethylamino)-1,2,4-triazol-3-one

Systemtic Name: 4-butan-2-yl-2-(dimethylamino)-5-(1-phenylethylamino)-1,2,4-triazol-3-one Openeye Name: 2-(dimethylamino)-5-(1-phenylethylamino)-4-sec-butyl-1,2,4-triazol-3-one CAS Name: 4-butan-2-yl-2-(dimethylamino)-5-(1-phenylethylamino)-1,2,4-triazol-3-one IUPAC Name: 4-butan-2-yl-2-(dimethylamino)-5-(1-phenylethylamino)-1,2,4-triazol-3-one Traditional Name: 2-(dimethylamino)-5-(1-phenylethylamino)-4-sec-butyl-1,2,4-triazol-3-one Formula: C16H25N5O MolecularWeight: 303.4026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN(C1=O)N(C)C)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCC(C)N1C(=NN(C1=O)N(C)C)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C16H25N5O/c1-6-12(2)20-15(18-21(16(20)22)19(4)5)17-13(3)14-10-8-7-9-11-14/h7-13H,6H2,1-5H3,(H,17,18)