(E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-5-yl)prop-2-enamide Openeye Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-5-yl)prop-2-enamide CAS Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-5-yl)-2-propenamide IUPAC Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-5-yl)prop-2-enamide Traditional Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1H-indol-5-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=CC4=C(C=C3)NC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)C#N)CCCCNC(=O)/C=C/C3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C25H26N4O/c26-17-20-3-6-21-10-14-29(18-23(21)16-20)13-2-1-11-28-25(30)8-5-19-4-7-24-22(15-19)9-12-27-24/h3-9,12,15-16,27H,1-2,10-11,13-14,18H2,(H,28,30)/b8-5+