N'-(phenylmethyl)-N'-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]ethane-1,2-diamine

Systemtic Name: N'-(phenylmethyl)-N'-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]ethane-1,2-diamine Openeye Name: N'-benzyl-N'-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]ethane-1,2-diamine CAS Name: N'-(phenylmethyl)-N'-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]ethane-1,2-diamine IUPAC Name: N'-benzyl-N'-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-benzyl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amine Formula: C22H26N6 MolecularWeight: 374.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCN

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCN

InChI

InChI=1S/C22H26N6/c23-10-12-27(15-18-5-2-1-3-6-18)11-4-7-19-14-24-22-9-8-20(13-21(19)22)28-16-25-26-17-28/h1-3,5-6,8-9,13-14,16-17,24H,4,7,10-12,15,23H2