methyl 3-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]propionic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)CC(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCN(CC4)C(=O)CC(=O)OC

InChI

InChI=1S/C22H23N3O5/c1-28-18-9-5-6-15-21(18)30-17-8-4-3-7-16(17)23-22(15)25-12-10-24(11-13-25)19(26)14-20(27)29-2/h3-9H,10-14H2,1-2H3