1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-4-(phenylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one

Systemtic Name: 1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-4-(phenylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one Openeye Name: 4-benzyl-1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-2,5-dihydro-1,4-benzodiazepin-3-one CAS Name: 1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-4-(phenylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one IUPAC Name: 4-benzyl-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,5-dihydro-1,4-benzodiazepin-3-one Traditional Name: 4-benzyl-1-(2-chloro-4-pyrrolidino-benzoyl)-2,5-dihydro-1,4-benzodiazepin-3-one Formula: C27H26ClN3O2 MolecularWeight: 459.96724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H26ClN3O2/c28-24-16-22(29-14-6-7-15-29)12-13-23(24)27(33)31-19-26(32)30(17-20-8-2-1-3-9-20)18-21-10-4-5-11-25(21)31/h1-5,8-13,16H,6-7,14-15,17-19H2