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

Systemtic Name: N'-(isoquinolin-5-ylmethyl)-N-[(E)-3-(4-phenoxyphenyl)-3-phenyl-prop-2-enyl]ethane-1,2-diamine Openeye Name: N'-(5-isoquinolylmethyl)-N-[(E)-3-(4-phenoxyphenyl)-3-phenyl-allyl]ethane-1,2-diamine CAS Name: N'-(5-isoquinolinylmethyl)-N-[(E)-3-(4-phenoxyphenyl)-3-phenylprop-2-enyl]ethane-1,2-diamine IUPAC Name: N'-(isoquinolin-5-ylmethyl)-N-[(E)-3-(4-phenoxyphenyl)-3-phenylprop-2-enyl]ethane-1,2-diamine Traditional Name: 5-isoquinolylmethyl-[2-[[(E)-3-(4-phenoxyphenyl)-3-phenyl-allyl]amino]ethyl]amine Formula: C33H31N3O MolecularWeight: 485.61874

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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)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\CNCCNCC2=CC=CC3=C2C=CN=C3)/C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C33H31N3O/c1-3-8-26(9-4-1)32(27-14-16-31(17-15-27)37-30-12-5-2-6-13-30)18-20-34-22-23-36-25-29-11-7-10-28-24-35-21-19-33(28)29/h1-19,21,24,34,36H,20,22-23,25H2/b32-18+