N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine

Systemtic Name: N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Openeye Name: N-[3,3-bis(4-methoxyphenyl)allyl]-N'-(5-isoquinolylmethyl)ethane-1,2-diamine CAS Name: N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]-N'-(5-isoquinolinylmethyl)ethane-1,2-diamine IUPAC Name: N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Traditional Name: 3,3-bis(4-methoxyphenyl)allyl-[2-(5-isoquinolylmethylamino)ethyl]amine Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=CCNCCNCC2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=CCNCCNCC2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H31N3O2/c1-33-26-10-6-22(7-11-26)28(23-8-12-27(34-2)13-9-23)14-16-30-18-19-32-21-25-5-3-4-24-20-31-17-15-29(24)25/h3-15,17,20,30,32H,16,18-19,21H2,1-2H3