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

Systemtic Name: N'-(isoquinolin-5-ylmethyl)-N-[(Z)-3-(4-methylphenyl)-3-phenyl-prop-2-enyl]ethane-1,2-diamine Openeye Name: N'-(5-isoquinolylmethyl)-N-[(Z)-3-phenyl-3-(p-tolyl)allyl]ethane-1,2-diamine CAS Name: N'-(5-isoquinolinylmethyl)-N-[(Z)-3-(4-methylphenyl)-3-phenylprop-2-enyl]ethane-1,2-diamine IUPAC Name: N'-(isoquinolin-5-ylmethyl)-N-[(Z)-3-(4-methylphenyl)-3-phenylprop-2-enyl]ethane-1,2-diamine Traditional Name: 5-isoquinolylmethyl-[2-[[(Z)-3-phenyl-3-(p-tolyl)allyl]amino]ethyl]amine Formula: C28H29N3 MolecularWeight: 407.54996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CCNCCNCC2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\CNCCNCC2=CC=CC3=C2C=CN=C3)/C4=CC=CC=C4

InChI

InChI=1S/C28H29N3/c1-22-10-12-24(13-11-22)27(23-6-3-2-4-7-23)14-16-29-18-19-31-21-26-9-5-8-25-20-30-17-15-28(25)26/h2-15,17,20,29,31H,16,18-19,21H2,1H3/b27-14-