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

Systemtic Name: (2S)-1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,4-dimethyl-2,5-dihydro-1,4-benzodiazepin-3-one Openeye Name: (2S)-1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-2,4-dimethyl-2,5-dihydro-1,4-benzodiazepin-3-one CAS Name: (2S)-1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-2,4-dimethyl-2,5-dihydro-1,4-benzodiazepin-3-one IUPAC Name: (2S)-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,4-dimethyl-2,5-dihydro-1,4-benzodiazepin-3-one Traditional Name: (2S)-1-(2-chloro-4-pyrrolidino-benzoyl)-2,4-dimethyl-2,5-dihydro-1,4-benzodiazepin-3-one Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=CC=CC=C2N1C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl)C

Isomeric SMILES

C[C@H]1C(=O)N(CC2=CC=CC=C2N1C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl)C

InChI

InChI=1S/C22H24ClN3O2/c1-15-21(27)24(2)14-16-7-3-4-8-20(16)26(15)22(28)18-10-9-17(13-19(18)23)25-11-5-6-12-25/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3/t15-/m0/s1