bis[2-(4-phenylpiperazin-1-yl)ethyl] 2-azanyl-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxylate

Systemtic Name: bis[2-(4-phenylpiperazin-1-yl)ethyl] 2-azanyl-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxylate Openeye Name: bis[2-(4-phenylpiperazin-1-yl)ethyl] 2-amino-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxylate CAS Name: 2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylic acid bis[2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: bis[2-(4-phenylpiperazin-1-yl)ethyl] 2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylate Traditional Name: 2-amino-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxylic acid bis[2-(4-phenylpiperazino)ethyl] ester Formula: C40H44N6O6 MolecularWeight: 704.81396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)N=C5C(=C(C(=O)C(=C5O2)C)N)C(=O)OCCN6CCN(CC6)C7=CC=CC=C7

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)N=C5C(=C(C(=O)C(=C5O2)C)N)C(=O)OCCN6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C40H44N6O6/c1-27-13-14-31(39(48)50-25-23-43-15-19-45(20-16-43)29-9-5-3-6-10-29)34-37(27)52-38-28(2)36(47)33(41)32(35(38)42-34)40(49)51-26-24-44-17-21-46(22-18-44)30-11-7-4-8-12-30/h3-14H,15-26,41H2,1-2H3