N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-2-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-2-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-2-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-2-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-2-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-2-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H31N5O MolecularWeight: 489.61074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CCC3=CC=CC=C3)C(=O)NCCC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CCC3=CC=CC=C3)C(=O)NCCC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H31N5O/c32-19-25-10-12-26(13-11-25)21-36-23-33-20-29(36)14-16-34-31(37)30-18-27-8-4-5-9-28(27)22-35(30)17-15-24-6-2-1-3-7-24/h1-13,20,23,30H,14-18,21-22H2,(H,34,37)