ethyl (6E)-N-prop-2-ynoxycarbonyl-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate

Systemtic Name: ethyl (6E)-N-prop-2-ynoxycarbonyl-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate Openeye Name: ethyl (6E)-N-prop-2-ynoxycarbonyl-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate CAS Name: (6E)-N-[oxo(prop-2-ynoxy)methyl]-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidic acid ethyl ester IUPAC Name: ethyl (6E)-N-prop-2-ynoxycarbonyl-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidate Traditional Name: (6E)-N-propargyloxycarbonyl-5,7-dihydrobenzo[d][2]benzazepine-6-carboximidic acid ethyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NC(=O)OCC#C)N1CC2=CC=CC=C2C3=CC=CC=C3C1

Isomeric SMILES

CCO/C(=N/C(=O)OCC#C)/N1CC2=CC=CC=C2C3=CC=CC=C3C1

InChI

InChI=1S/C21H20N2O3/c1-3-13-26-21(24)22-20(25-4-2)23-14-16-9-5-7-11-18(16)19-12-8-6-10-17(19)15-23/h1,5-12H,4,13-15H2,2H3/b22-20+