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

Systemtic Name: ethyl (Z)-3-[(5-azanyl-1-phenethyl-1,2,3-triazol-4-yl)amino]hex-2-enoate Openeye Name: ethyl (Z)-3-[(5-amino-1-phenethyl-triazol-4-yl)amino]hex-2-enoate CAS Name: (Z)-3-[(5-amino-1-phenethyl-4-triazolyl)amino]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[(5-amino-1-phenethyltriazol-4-yl)amino]hex-2-enoate Traditional Name: (Z)-3-[(5-amino-1-phenethyl-triazol-4-yl)amino]hex-2-enoic acid ethyl ester Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC(=O)OCC)NC1=C(N(N=N1)CCC2=CC=CC=C2)N

Isomeric SMILES

CCC/C(=C/C(=O)OCC)/NC1=C(N(N=N1)CCC2=CC=CC=C2)N

InChI

InChI=1S/C18H25N5O2/c1-3-8-15(13-16(24)25-4-2)20-18-17(19)23(22-21-18)12-11-14-9-6-5-7-10-14/h5-7,9-10,13,20H,3-4,8,11-12,19H2,1-2H3/b15-13-