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

Systemtic Name: N-[(E)-3-(2-chlorophenyl)-3-phenyl-prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Openeye Name: N-[(E)-3-(2-chlorophenyl)-3-phenyl-allyl]-N'-(5-isoquinolylmethyl)ethane-1,2-diamine CAS Name: N-[(E)-3-(2-chlorophenyl)-3-phenylprop-2-enyl]-N'-(5-isoquinolinylmethyl)ethane-1,2-diamine IUPAC Name: N-[(E)-3-(2-chlorophenyl)-3-phenylprop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Traditional Name: [(E)-3-(2-chlorophenyl)-3-phenyl-allyl]-[2-(5-isoquinolylmethylamino)ethyl]amine Formula: C27H26ClN3 MolecularWeight: 427.96844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCNCCNCC2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\CNCCNCC2=CC=CC3=C2C=CN=C3)/C4=CC=CC=C4Cl

InChI

InChI=1S/C27H26ClN3/c28-27-12-5-4-11-26(27)25(21-7-2-1-3-8-21)14-15-29-17-18-31-20-23-10-6-9-22-19-30-16-13-24(22)23/h1-14,16,19,29,31H,15,17-18,20H2/b25-14+