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

Systemtic Name: 1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-4-methyl-2,5-dihydro-1,4-benzodiazepin-3-one Openeye Name: 1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-4-methyl-2,5-dihydro-1,4-benzodiazepin-3-one CAS Name: 1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-4-methyl-2,5-dihydro-1,4-benzodiazepin-3-one IUPAC Name: 1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-4-methyl-2,5-dihydro-1,4-benzodiazepin-3-one Traditional Name: 1-(2-chloro-4-pyrrolidino-benzoyl)-4-methyl-2,5-dihydro-1,4-benzodiazepin-3-one Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2N(CC1=O)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl

Isomeric SMILES

CN1CC2=CC=CC=C2N(CC1=O)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-23-13-15-6-2-3-7-19(15)25(14-20(23)26)21(27)17-9-8-16(12-18(17)22)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3