N-[(8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl]ethanamide

Systemtic Name: N-[(8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl]ethanamide Openeye Name: N-[(8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl]acetamide CAS Name: N-[(8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl]acetamide IUPAC Name: N-[(8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl]acetamide Traditional Name: N-[(8-nitro-6-phenyl-4H-pyrazolo[1,5-a][1,4]benzodiazepin-2-yl)methyl]acetamide Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=NN2C(=C1)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCC1=NN2C(=C1)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3/c1-13(26)21-11-15-9-17-12-22-20(14-5-3-2-4-6-14)18-10-16(25(27)28)7-8-19(18)24(17)23-15/h2-10H,11-12H2,1H3,(H,21,26)