methyl 3-azanyl-2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]benzoate

Systemtic Name: methyl 3-azanyl-2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]benzoate Openeye Name: methyl 3-amino-2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]benzoate CAS Name: 3-amino-2-[(5-cyano-2-benzo[b][1]benzoxepinyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]benzoate Traditional Name: 3-amino-2-[(5-cyanobenzo[b][1]benzoxepin-2-yl)methylamino]benzoic acid methyl ester Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)NCC2=CC3=C(C=C2)C(=CC4=CC=CC=C4O3)C#N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)NCC2=CC3=C(C=C2)C(=CC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C24H19N3O3/c1-29-24(28)19-6-4-7-20(26)23(19)27-14-15-9-10-18-17(13-25)12-16-5-2-3-8-21(16)30-22(18)11-15/h2-12,27H,14,26H2,1H3