[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-isoquinolin-1-yl-methanone

Systemtic Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-isoquinolin-1-yl-methanone Openeye Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-isoquinolyl)methanone CAS Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-isoquinolinyl)methanone IUPAC Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-isoquinolin-1-ylmethanone Traditional Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-isoquinolyl)methanone Formula: C29H25N5O MolecularWeight: 459.5417

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=NC=CC4=CC=CC=C43)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=NC=CC4=CC=CC=C43)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6

InChI

InChI=1S/C29H25N5O/c35-29(28-26-9-5-4-8-22(26)12-13-31-28)34-15-14-33(19-25-17-30-20-32-25)27-11-10-23(16-24(27)18-34)21-6-2-1-3-7-21/h1-13,16-17,20H,14-15,18-19H2,(H,30,32)