methyl 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(1H-benzimidazol-2-ylmethylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H21N3O3/c1-29-24(28)15-10-11-21-18(12-15)23(17-7-3-2-6-16(17)14-30-21)25-13-22-26-19-8-4-5-9-20(19)27-22/h2-12,23,25H,13-14H2,1H3,(H,26,27)