N-(isoquinolin-5-ylmethyl)-N'-(2,3,3-triphenylprop-2-enyl)ethane-1,2-diamine

Systemtic Name: N-(isoquinolin-5-ylmethyl)-N'-(2,3,3-triphenylprop-2-enyl)ethane-1,2-diamine Openeye Name: N-(5-isoquinolylmethyl)-N'-(2,3,3-triphenylallyl)ethane-1,2-diamine CAS Name: N-(5-isoquinolinylmethyl)-N'-(2,3,3-triphenylprop-2-enyl)ethane-1,2-diamine IUPAC Name: N-(isoquinolin-5-ylmethyl)-N'-(2,3,3-triphenylprop-2-enyl)ethane-1,2-diamine Traditional Name: 5-isoquinolylmethyl-[2-(2,3,3-triphenylallylamino)ethyl]amine Formula: C33H31N3 MolecularWeight: 469.61934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)CNCCNCC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)CNCCNCC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C33H31N3/c1-4-11-26(12-5-1)32(33(27-13-6-2-7-14-27)28-15-8-3-9-16-28)25-36-22-21-35-24-30-18-10-17-29-23-34-20-19-31(29)30/h1-20,23,35-36H,21-22,24-25H2