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

Systemtic Name: 2-butyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-butyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-butyl-N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-butyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-butyl-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=CC=CC=C2CC1C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCN1CC2=CC=CC=C2CC1C(=O)NCCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H31N5O/c1-2-3-14-31-19-24-7-5-4-6-23(24)15-26(31)27(33)30-13-12-25-17-29-20-32(25)18-22-10-8-21(16-28)9-11-22/h4-11,17,20,26H,2-3,12-15,18-19H2,1H3,(H,30,33)