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

Systemtic Name: 3-chloranyl-N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride Openeye Name: 3-chloro-N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride CAS Name: 3-chloro-N-[1-(1H-imidazol-5-ylmethyl)-4-[1-naphthalenyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride IUPAC Name: 3-chloro-N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride Traditional Name: 3-chloro-N-[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride Formula: C31H28Cl3N5O2 MolecularWeight: 608.94532

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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=CC(=CC=C5)Cl)CC6=CN=CN6.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H26ClN5O2.2ClH/c32-24-8-3-7-22(15-24)30(38)35-25-12-11-23-18-37(14-13-36(29(23)16-25)19-26-17-33-20-34-26)31(39)28-10-4-6-21-5-1-2-9-27(21)28;;/h1-12,15-17,20H,13-14,18-19H2,(H,33,34)(H,35,38);2*1H