piperazin-1-yl 3,6-bis(oxidanylidene)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexanoate

Systemtic Name: piperazin-1-yl 3,6-bis(oxidanylidene)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexanoate Openeye Name: piperazin-1-yl 3,6-dioxo-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexanoate CAS Name: 3,6-dioxo-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexanoic acid 1-piperazinyl ester IUPAC Name: piperazin-1-yl 3,6-dioxo-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexanoate Traditional Name: 3,6-diketo-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)hexanoic acid piperazino ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)C(=O)CCC(=O)CC(=O)ON3CCNCC3

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)C(=O)CCC(=O)CC(=O)ON3CCNCC3

InChI

InChI=1S/C20H27N3O4/c24-18(14-20(26)27-23-11-9-22-10-12-23)3-4-19(25)17-2-1-15-5-7-21-8-6-16(15)13-17/h1-2,13,21-22H,3-12,14H2