methyl 4-oxidanylidene-4-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butanoate Openeye Name: methyl 4-oxo-4-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butanoate CAS Name: 4-oxo-4-[7-[(4-phenyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butanoate Traditional Name: 4-keto-4-[7-[(4-phenylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butyric acid methyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCOC2=C(C1)C=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC(=O)N1CCOC2=C(C1)C=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4/c1-31-25(30)10-9-24(29)28-15-16-32-23-8-7-20(17-21(23)19-28)18-26-11-13-27(14-12-26)22-5-3-2-4-6-22/h2-8,17H,9-16,18-19H2,1H3