ethyl (Z)-3-[[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]amino]hex-2-enoate

Systemtic Name: ethyl (Z)-3-[[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]amino]hex-2-enoate Openeye Name: ethyl (Z)-3-[(5-amino-1-benzyl-triazol-4-yl)amino]hex-2-enoate CAS Name: (Z)-3-[[5-amino-1-(phenylmethyl)-4-triazolyl]amino]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[(5-amino-1-benzyltriazol-4-yl)amino]hex-2-enoate Traditional Name: (Z)-3-[(5-amino-1-benzyl-triazol-4-yl)amino]hex-2-enoic acid ethyl ester Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC(=O)OCC)NC1=C(N(N=N1)CC2=CC=CC=C2)N

Isomeric SMILES

CCC/C(=C/C(=O)OCC)/NC1=C(N(N=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C17H23N5O2/c1-3-8-14(11-15(23)24-4-2)19-17-16(18)22(21-20-17)12-13-9-6-5-7-10-13/h5-7,9-11,19H,3-4,8,12,18H2,1-2H3/b14-11-