4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[[4-(1-imidazolyl)phenyl]methyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-imidazol-1-ylbenzyl)benzamide Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H26N4O/c32-27(29-17-21-7-11-26(12-8-21)31-16-14-28-20-31)24-9-5-22(6-10-24)18-30-15-13-23-3-1-2-4-25(23)19-30/h1-12,14,16,20H,13,15,17-19H2,(H,29,32)