5-(diethylamino)pentyl 3-chloranyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylate

Systemtic Name: 5-(diethylamino)pentyl 3-chloranyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylate Openeye Name: 5-(diethylamino)pentyl 3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carboxylate CAS Name: 3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid 5-(diethylamino)pentyl ester IUPAC Name: 5-(diethylamino)pentyl 3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carboxylate Traditional Name: 3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid 5-(diethylamino)pentyl ester Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCOC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCCCCOC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O3/c1-3-25(4-2)14-8-5-9-15-28-23(27)26-17-18-10-6-7-11-21(18)29-22-13-12-19(24)16-20(22)26/h6-7,10-13,16H,3-5,8-9,14-15,17H2,1-2H3