ethyl 2-[5-(1-adamantyl)-2-oxidanylidene-4H-1,3,4-benzotriazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(1-adamantyl)-2-oxidanylidene-4H-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[5-(1-adamantyl)-2-oxo-4H-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[5-(1-adamantyl)-2-oxo-4H-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(1-adamantyl)-2-oxo-4H-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[5-(1-adamantyl)-2-keto-4H-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O3/c1-2-28-19(26)13-25-21(27)23-18-6-4-3-5-17(18)20(24-25)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16,24H,2,7-13H2,1H3