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

Systemtic Name: N-[3,3-bis(4-chlorophenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Openeye Name: N-[3,3-bis(4-chlorophenyl)allyl]-N'-(5-isoquinolylmethyl)ethane-1,2-diamine CAS Name: N-[3,3-bis(4-chlorophenyl)prop-2-enyl]-N'-(5-isoquinolinylmethyl)ethane-1,2-diamine IUPAC Name: N-[3,3-bis(4-chlorophenyl)prop-2-enyl]-N'-(isoquinolin-5-ylmethyl)ethane-1,2-diamine Traditional Name: 3,3-bis(4-chlorophenyl)allyl-[2-(5-isoquinolylmethylamino)ethyl]amine Formula: C27H25Cl2N3 MolecularWeight: 462.4135

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)CNCCNCC=C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)CNCCNCC=C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25Cl2N3/c28-24-8-4-20(5-9-24)26(21-6-10-25(29)11-7-21)12-14-30-16-17-32-19-23-3-1-2-22-18-31-15-13-27(22)23/h1-13,15,18,30,32H,14,16-17,19H2