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

Systemtic Name: 1,3-benzodioxol-4-yl-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Openeye Name: 1,3-benzodioxol-4-yl-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone CAS Name: 1,3-benzodioxol-4-yl-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone IUPAC Name: 1,3-benzodioxol-4-yl-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Traditional Name: 1,3-benzodioxol-4-yl-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=C4C(=CC=C3)OCO4)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=C4C(=CC=C3)OCO4)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6

InChI

InChI=1S/C27H24N4O3/c32-27(23-7-4-8-25-26(23)34-18-33-25)31-12-11-30(16-22-14-28-17-29-22)24-10-9-20(13-21(24)15-31)19-5-2-1-3-6-19/h1-10,13-14,17H,11-12,15-16,18H2,(H,28,29)