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

Systemtic Name: 1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-4-(pyridin-3-ylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one Openeye Name: 1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-4-(3-pyridylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one CAS Name: 1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-4-(3-pyridinylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one IUPAC Name: 1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-4-(pyridin-3-ylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one Traditional Name: 1-(2-chloro-4-pyrrolidino-benzoyl)-4-(3-pyridylmethyl)-2,5-dihydro-1,4-benzodiazepin-3-one Formula: C26H25ClN4O2 MolecularWeight: 460.9553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN4O2/c27-23-14-21(29-12-3-4-13-29)9-10-22(23)26(33)31-18-25(32)30(16-19-6-5-11-28-15-19)17-20-7-1-2-8-24(20)31/h1-2,5-11,14-15H,3-4,12-13,16-18H2