N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]furan-3-carboxamide dihydrochloride

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]furan-3-carboxamide dihydrochloride Openeye Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]furan-3-carboxamide dihydrochloride CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-4-[1-naphthalenyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-3-furancarboxamide dihydrochloride IUPAC Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]furan-3-carboxamide dihydrochloride Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-3-furamide dihydrochloride Formula: C29H27Cl2N5O3 MolecularWeight: 564.46238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25N5O3.2ClH/c35-28(22-10-13-37-18-22)32-23-9-8-21-16-34(12-11-33(27(21)14-23)17-24-15-30-19-31-24)29(36)26-7-3-5-20-4-1-2-6-25(20)26;;/h1-10,13-15,18-19H,11-12,16-17H2,(H,30,31)(H,32,35);2*1H