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

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride Openeye Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-4-[1-naphthalenyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride IUPAC Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]benzamide dihydrochloride Formula: C31H29Cl2N5O2 MolecularWeight: 574.50026

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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)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)CC6=CN=CN6.Cl.Cl

InChI

InChI=1S/C31H27N5O2.2ClH/c37-30(23-8-2-1-3-9-23)34-25-14-13-24-19-36(16-15-35(29(24)17-25)20-26-18-32-21-33-26)31(38)28-12-6-10-22-7-4-5-11-27(22)28;;/h1-14,17-18,21H,15-16,19-20H2,(H,32,33)(H,34,37);2*1H