N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-quinolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)cinchoninamide Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29N3O/c31-27(28-16-14-20-8-2-1-3-9-20)24-18-26(29-25-13-7-6-12-23(24)25)30-17-15-21-10-4-5-11-22(21)19-30/h4-8,10-13,18H,1-3,9,14-17,19H2,(H,28,31)