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

Systemtic Name: N-[3,3-bis(4-phenylphenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Openeye Name: N-[3,3-bis(4-phenylphenyl)allyl]-N'-(5-isoquinolylmethyl)ethane-1,2-diamine CAS Name: N-[3,3-bis(4-phenylphenyl)prop-2-enyl]-N'-(5-isoquinolinylmethyl)ethane-1,2-diamine IUPAC Name: N-[3,3-bis(4-phenylphenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Traditional Name: 3,3-bis(4-phenylphenyl)allyl-[2-(5-isoquinolylmethylamino)ethyl]amine Formula: C39H35N3 MolecularWeight: 545.7153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H35N3/c1-3-8-30(9-4-1)32-14-18-34(19-15-32)38(35-20-16-33(17-21-35)31-10-5-2-6-11-31)22-24-40-26-27-42-29-37-13-7-12-36-28-41-25-23-39(36)37/h1-23,25,28,40,42H,24,26-27,29H2