(3S)-3-methyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride

Systemtic Name: (3S)-3-methyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Openeye Name: (3S)-3-methyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride CAS Name: (3S)-3-methyl-5-phenyl-9-(1-piperazinyl)-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride IUPAC Name: (3S)-3-methyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Traditional Name: (3S)-3-methyl-5-phenyl-9-piperazino-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Formula: C20H24Cl2N4O MolecularWeight: 407.33676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(C=CC=C2N3CCNCC3)C(=N1)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C[C@H]1C(=O)NC2=C(C=CC=C2N3CCNCC3)C(=N1)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C20H22N4O.2ClH/c1-14-20(25)23-19-16(18(22-14)15-6-3-2-4-7-15)8-5-9-17(19)24-12-10-21-11-13-24;;/h2-9,14,21H,10-13H2,1H3,(H,23,25);2*1H/t14-;;/m0../s1