4-cyano-N-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 4-cyano-N-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 4-cyano-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-pyrrolidin-1-yl-benzamide CAS Name: 4-cyano-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 4-cyano-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 4-cyano-N-[(3S)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-pyrrolidino-benzamide Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)C#N)C(=O)NC3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)C#N)C(=O)N[C@@H]3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2/c28-17-18-12-13-21(23(16-18)32-14-6-7-15-32)26(33)31-25-27(34)29-22-11-5-4-10-20(22)24(30-25)19-8-2-1-3-9-19/h1-5,8-13,16,25H,6-7,14-15H2,(H,29,34)(H,31,33)/t25-/m1/s1