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

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-2,2-dimethyl-propanamide dihydrochloride Openeye Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-2,2-dimethyl-propanamide dihydrochloride CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-4-[1-naphthalenyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-2,2-dimethylpropanamide dihydrochloride IUPAC Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-2,2-dimethylpropanamide dihydrochloride Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]-2,2-dimethyl-propionamide dihydrochloride Formula: C29H33Cl2N5O2 MolecularWeight: 554.51062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC2=C(CN(CCN2CC3=CN=CN3)C(=O)C4=CC=CC5=CC=CC=C54)C=C1.Cl.Cl

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC2=C(CN(CCN2CC3=CN=CN3)C(=O)C4=CC=CC5=CC=CC=C54)C=C1.Cl.Cl

InChI

InChI=1S/C29H31N5O2.2ClH/c1-29(2,3)28(36)32-22-12-11-21-17-34(14-13-33(26(21)15-22)18-23-16-30-19-31-23)27(35)25-10-6-8-20-7-4-5-9-24(20)25;;/h4-12,15-16,19H,13-14,17-18H2,1-3H3,(H,30,31)(H,32,36);2*1H