7-chloranyl-5-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-(4-benzylpiperazin-1-yl)-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 3-(4-benzylpiperazino)-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C26H25ClN4O MolecularWeight: 444.9559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3C(=O)NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3C(=O)NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4O/c27-21-11-12-23-22(17-21)24(20-9-5-2-6-10-20)29-25(26(32)28-23)31-15-13-30(14-16-31)18-19-7-3-1-4-8-19/h1-12,17,25H,13-16,18H2,(H,28,32)