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

Systemtic Name: N-[3,3-bis(4-phenoxyphenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Openeye Name: N-[3,3-bis(4-phenoxyphenyl)allyl]-N'-(5-isoquinolylmethyl)ethane-1,2-diamine CAS Name: N-[3,3-bis(4-phenoxyphenyl)prop-2-enyl]-N'-(5-isoquinolinylmethyl)ethane-1,2-diamine IUPAC Name: N-[3,3-bis(4-phenoxyphenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Traditional Name: 3,3-bis(4-phenoxyphenyl)allyl-[2-(5-isoquinolylmethylamino)ethyl]amine Formula: C39H35N3O2 MolecularWeight: 577.7141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=CCNCCNCC3=CC=CC4=C3C=CN=C4)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=CCNCCNCC3=CC=CC4=C3C=CN=C4)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C39H35N3O2/c1-3-10-34(11-4-1)43-36-18-14-30(15-19-36)38(31-16-20-37(21-17-31)44-35-12-5-2-6-13-35)22-24-40-26-27-42-29-33-9-7-8-32-28-41-25-23-39(32)33/h1-23,25,28,40,42H,24,26-27,29H2