N-[(E)-3-[4-(4-bromophenyl)phenyl]-3-phenyl-prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine

Systemtic Name: N-[(E)-3-[4-(4-bromophenyl)phenyl]-3-phenyl-prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Openeye Name: N-[(E)-3-[4-(4-bromophenyl)phenyl]-3-phenyl-allyl]-N'-(5-isoquinolylmethyl)ethane-1,2-diamine CAS Name: N-[(E)-3-[4-(4-bromophenyl)phenyl]-3-phenylprop-2-enyl]-N'-(5-isoquinolinylmethyl)ethane-1,2-diamine IUPAC Name: N-[(E)-3-[4-(4-bromophenyl)phenyl]-3-phenylprop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Traditional Name: [(E)-3-[4-(4-bromophenyl)phenyl]-3-phenyl-allyl]-[2-(5-isoquinolylmethylamino)ethyl]amine Formula: C33H30BrN3 MolecularWeight: 548.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCNCCNCC2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\CNCCNCC2=CC=CC3=C2C=CN=C3)/C4=CC=C(C=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C33H30BrN3/c34-31-15-13-26(14-16-31)25-9-11-28(12-10-25)32(27-5-2-1-3-6-27)17-19-35-21-22-37-24-30-8-4-7-29-23-36-20-18-33(29)30/h1-18,20,23,35,37H,19,21-22,24H2/b32-17+