N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-6-(3-phenylphenyl)-1,2,4,5-tetrazin-3-amine

Systemtic Name: N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-6-(3-phenylphenyl)-1,2,4,5-tetrazin-3-amine Openeye Name: N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-6-(3-phenylphenyl)-1,2,4,5-tetrazin-3-amine CAS Name: N-[3-(diethylaminomethyl)-4-methoxyphenyl]-6-(3-phenylphenyl)-1,2,4,5-tetrazin-3-amine IUPAC Name: N-[3-(diethylaminomethyl)-4-methoxyphenyl]-6-(3-phenylphenyl)-1,2,4,5-tetrazin-3-amine Traditional Name: diethyl-[2-methoxy-5-[[6-(3-phenylphenyl)-1,2,4,5-tetrazin-3-yl]amino]benzyl]amine Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)NC2=NN=C(N=N2)C3=CC=CC(=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=NN=C(N=N2)C3=CC=CC(=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N6O/c1-4-32(5-2)18-22-17-23(14-15-24(22)33-3)27-26-30-28-25(29-31-26)21-13-9-12-20(16-21)19-10-7-6-8-11-19/h6-17H,4-5,18H2,1-3H3,(H,27,30,31)