2-[6-oxidanylidene-5-[2-oxidanylidene-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-5-[2-oxidanylidene-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[6-oxo-5-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[6-oxo-5-[2-oxo-2-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[6-oxo-5-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[6-keto-5-[2-keto-2-[4-(2-pyrrolidinoethyl)piperazino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(C5=CC=CC=C5C3=O)CC(=O)O

Isomeric SMILES

C1CCN(C1)CCN2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(C5=CC=CC=C5C3=O)CC(=O)O

InChI

InChI=1S/C28H34N4O4/c33-26(31-17-15-30(16-18-31)14-13-29-11-5-6-12-29)20-32-25-10-4-3-8-22(25)24(19-27(34)35)21-7-1-2-9-23(21)28(32)36/h1-4,7-10,24H,5-6,11-20H2,(H,34,35)