[7-butyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone dihydrochloride

Systemtic Name: [7-butyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone dihydrochloride Openeye Name: [7-butyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone dihydrochloride CAS Name: [7-butyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthalenyl)methanone dihydrochloride IUPAC Name: [7-butyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone dihydrochloride Traditional Name: [7-butyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone dihydrochloride Formula: C28H32Cl2N4O MolecularWeight: 511.48588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(CCN(C2)C(=O)C3=CC=CC4=CC=CC=C43)CC5=CN=CN5.Cl.Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(CCN(C2)C(=O)C3=CC=CC4=CC=CC=C43)CC5=CN=CN5.Cl.Cl

InChI

InChI=1S/C28H30N4O.2ClH/c1-2-3-7-21-12-13-27-23(16-21)18-32(15-14-31(27)19-24-17-29-20-30-24)28(33)26-11-6-9-22-8-4-5-10-25(22)26;;/h4-6,8-13,16-17,20H,2-3,7,14-15,18-19H2,1H3,(H,29,30);2*1H