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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(=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/c1-20(2)14-28(35)32-23-11-10-22-17-34(13-12-33(27(22)15-23)18-24-16-30-19-31-24)29(36)26-9-5-7-21-6-3-4-8-25(21)26;;/h3-11,15-16,19-20H,12-14,17-18H2,1-2H3,(H,30,31)(H,32,35);2*1H