N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylphenyl)carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-(3-pyridylmethyl)-5-(4-pyrimidin-2-ylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[oxo-[4-(2-pyrimidinyl)phenyl]methyl]-N-(3-pyridinylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: N-(3-pyridylmethyl)-5-[4-(2-pyrimidyl)benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C30H24N6O2 MolecularWeight: 500.55056

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=C(N31)C(=O)NCC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)C6=NC=CC=N6

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=C(N31)C(=O)NCC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)C6=NC=CC=N6

InChI

InChI=1S/C30H24N6O2/c37-29(34-18-21-5-3-14-31-17-21)27-13-12-25-20-36(26-7-2-1-6-24(26)19-35(25)27)30(38)23-10-8-22(9-11-23)28-32-15-4-16-33-28/h1-17H,18-20H2,(H,34,37)