ethyl 2-(5,10-dihydro-4H-pyrazolo[5,1-c][1,4]benzodiazepin-2-ylmethyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(5,10-dihydro-4H-pyrazolo[5,1-c][1,4]benzodiazepin-2-ylmethyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(5,10-dihydro-4H-pyrazolo[5,1-c][1,4]benzodiazepin-2-ylmethyl)-3-oxo-butanoate CAS Name: 2-(5,10-dihydro-4H-pyrazolo[5,1-c][1,4]benzodiazepin-2-ylmethyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(5,10-dihydro-4H-pyrazolo[5,1-c][1,4]benzodiazepin-2-ylmethyl)-3-oxobutanoate Traditional Name: 2-(5,10-dihydro-4H-pyrazolo[5,1-c][1,4]benzodiazepin-2-ylmethyl)-3-keto-butyric acid ethyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NN2CC3=CC=CC=C3NCC2=C1)C(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=NN2CC3=CC=CC=C3NCC2=C1)C(=O)C

InChI

InChI=1S/C18H21N3O3/c1-3-24-18(23)16(12(2)22)9-14-8-15-10-19-17-7-5-4-6-13(17)11-21(15)20-14/h4-8,16,19H,3,9-11H2,1-2H3