5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine dihydrochloride

Systemtic Name: 5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine dihydrochloride Openeye Name: 5-phenyl-N-(3-pyridylmethyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine dihydrochloride CAS Name: 5-phenyl-N-(3-pyridinylmethyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine dihydrochloride IUPAC Name: 5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine dihydrochloride Traditional Name: (5-phenyl-4,5-dihydro-1H-1,3-benzodiazepin-2-yl)-(3-pyridylmethyl)amine dihydrochloride Formula: C21H22Cl2N4 MolecularWeight: 401.33218

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2NC(=N1)NCC3=CN=CC=C3)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1C(C2=CC=CC=C2NC(=N1)NCC3=CN=CC=C3)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H20N4.2ClH/c1-2-8-17(9-3-1)19-15-24-21(23-14-16-7-6-12-22-13-16)25-20-11-5-4-10-18(19)20;;/h1-13,19H,14-15H2,(H2,23,24,25);2*1H