5-(4-methoxyphenyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(4-methoxyphenyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]-1,2,4-triazin-3-amine Openeye Name: N-(1-benzylpyrrolidin-3-yl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine CAS Name: 5-(4-methoxyphenyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]-1,2,4-triazin-3-amine IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine Traditional Name: (1-benzylpyrrolidin-3-yl)-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amine Formula: C21H23N5O MolecularWeight: 361.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=NC(=N2)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=NC(=N2)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c1-27-19-9-7-17(8-10-19)20-13-22-25-21(24-20)23-18-11-12-26(15-18)14-16-5-3-2-4-6-16/h2-10,13,18H,11-12,14-15H2,1H3,(H,23,24,25)