1-phenyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-phenyl-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C27H19N5OS MolecularWeight: 461.53766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)N=C6N1C=CC=C6

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)N=C6N1C=CC=C6

InChI

InChI=1S/C27H19N5OS/c33-27(22-18-32(20-10-2-1-3-11-20)30-25(22)23-13-8-16-34-23)29-26-21-12-5-4-9-19(21)17-31-15-7-6-14-24(31)28-26/h1-16,18H,17H2