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

Systemtic Name: N-[(E)-3-(4-bromophenyl)-3-phenyl-prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Openeye Name: N-[(E)-3-(4-bromophenyl)-3-phenyl-allyl]-N'-(5-isoquinolylmethyl)ethane-1,2-diamine CAS Name: N-[(E)-3-(4-bromophenyl)-3-phenylprop-2-enyl]-N'-(5-isoquinolinylmethyl)ethane-1,2-diamine IUPAC Name: N-[(E)-3-(4-bromophenyl)-3-phenylprop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Traditional Name: [(E)-3-(4-bromophenyl)-3-phenyl-allyl]-[2-(5-isoquinolylmethylamino)ethyl]amine Formula: C27H26BrN3 MolecularWeight: 472.41944

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrN3/c28-25-11-9-22(10-12-25)26(21-5-2-1-3-6-21)13-15-29-17-18-31-20-24-8-4-7-23-19-30-16-14-27(23)24/h1-14,16,19,29,31H,15,17-18,20H2/b26-13+