methyl 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]propionic acid methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(=O)OC)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC(=O)OC)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OC

InChI

InChI=1S/C23H25N3O5/c1-15-14-25(10-11-26(15)21(27)13-22(28)30-3)23-17-12-16(29-2)8-9-19(17)31-20-7-5-4-6-18(20)24-23/h4-9,12,15H,10-11,13-14H2,1-3H3