3-azanyl-5-methyl-1-[1-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]heptan-2-one trihydrochloride

Systemtic Name: 3-azanyl-5-methyl-1-[1-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]heptan-2-one trihydrochloride Openeye Name: 3-amino-1-(1-benzyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-5-methyl-heptan-2-one trihydrochloride CAS Name: 3-amino-5-methyl-1-[1-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-heptanone trihydrochloride IUPAC Name: 3-amino-1-(1-benzyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-5-methylheptan-2-one trihydrochloride Traditional Name: 3-amino-1-(1-benzyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-5-methyl-heptan-2-one trihydrochloride Formula: C24H36Cl3N3O MolecularWeight: 488.92114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C(=O)CN1CCN(C2=CC=CC=C2C1)CC3=CC=CC=C3)N.Cl.Cl.Cl

Isomeric SMILES

CCC(C)CC(C(=O)CN1CCN(C2=CC=CC=C2C1)CC3=CC=CC=C3)N.Cl.Cl.Cl

InChI

InChI=1S/C24H33N3O.3ClH/c1-3-19(2)15-22(25)24(28)18-26-13-14-27(16-20-9-5-4-6-10-20)23-12-8-7-11-21(23)17-26;;;/h4-12,19,22H,3,13-18,25H2,1-2H3;3*1H