3-chloranyl-9-[1-(pyridin-4-ylmethylamino)propyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxylate

Systemtic Name: 3-chloranyl-9-[1-(pyridin-4-ylmethylamino)propyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxylate Openeye Name: 3-chloro-9-[1-(4-pyridylmethylamino)propyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxylate CAS Name: 3-chloro-9-[1-(pyridin-4-ylmethylamino)propyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxylate IUPAC Name: 3-chloro-9-[1-(pyridin-4-ylmethylamino)propyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxylate Traditional Name: 3-chloro-9-[1-(4-pyridylmethylamino)propyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxylate Formula: C23H21ClN3O3- MolecularWeight: 422.88414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(CN(C3=C(O2)C=CC(=C3)Cl)C(=O)[O-])C=C1)NCC4=CC=NC=C4

Isomeric SMILES

CCC(C1=CC2=C(CN(C3=C(O2)C=CC(=C3)Cl)C(=O)[O-])C=C1)NCC4=CC=NC=C4

InChI

InChI=1S/C23H22ClN3O3/c1-2-19(26-13-15-7-9-25-10-8-15)16-3-4-17-14-27(23(28)29)20-12-18(24)5-6-21(20)30-22(17)11-16/h3-12,19,26H,2,13-14H2,1H3,(H,28,29)/p-1