butanedioate; 8-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: butanedioate; 8-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: butanedioate; 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine CAS Name: butanedioate; 8-chloro-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: butanedioate; 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 8-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzoxazepine; succinate Formula: C22H22ClN3O5-2 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)/p-2