(E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-3-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-3-yl)prop-2-enamide Openeye Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-3-yl)prop-2-enamide CAS Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-3-yl)-2-propenamide IUPAC Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-3-yl)prop-2-enamide Traditional Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-3-yl)acrylamide Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)C#N)CCCCNC(=O)C=CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)C#N)CCCCNC(=O)/C=C/C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H26N4O/c26-16-19-7-8-20-11-14-29(18-22(20)15-19)13-4-3-12-27-25(30)10-9-21-17-28-24-6-2-1-5-23(21)24/h1-2,5-10,15,17,28H,3-4,11-14,18H2,(H,27,30)/b10-9+